Liu, H.; Papa, E.; Gramatica, P. QSAR Prediction of Estrogen Activity for a Large Set of Diverse Chemicals under the Guidance of OECD Principles. Chem. Res. Toxicol. 2006, 19, 11, 1540–1548.

151 compounds | Property LogRBA: Estrogen receptor relative binding affinity

ID	Name	LogRBA	Details
1	Diethylstilbestrol (DES)	2.6	View
2	Hexestrol	2.48	View
3	Ethynylestradiol	2.28	View
4	4-Hydroxy-tamoxifen	2.24	View
5	17beta-Estradiol	2	View
6	4-OH-Estradiol	1.82	View
7	Zearalenol	1.63	View
8	ICI 182780	1.57	View
9	Dienestrol	1.57	View
10	alpha-Zearalanol	1.48	View
11	2-OH-Estradiol	1.47	View
12	Mestilbol	1.31	View
13	3,3'-Dihydroxyhexestrol	1.19	View
14	Droloxifene	1.18	View
15	Dimethylstilbestrol	1.16	View
16	ICI 164384	1.16	View
17	17-Deoxyestradiol	1.14	View
18	Moxestrol	1.14	View
19	Hexestrol monomethyl ether	0.97	View
20	2,6-Dimethyl hexestrol	1.11	View
21	Estriol	0.99	View
22	Estrone	0.86	View
23	3-(p-Phenyl)-4-(p-tolyl)hexane	0.6	View
24	DL-Hexestrol	0.56	View
25	17alpha-Estradiol	0.49	View
26	Dihydroxymethoxychlor olefin	0.42	View
27	Mestranol	0.35	View
28	Zearalanone	0.32	View
29	Tamoxifen	0.21	View
30	Toremifene	0.14	View
31	alpha,alpha-Dimethyl-beta-ethyl allenolic acid	-0.02	View
32	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin	-0.05	View
33	Coumestrol	-0.05	View
34	Clomiphene	-0.14	View
35	Nafoxidine	-0.14	View
36	6alpha-Hydroxy-estradiol	-0.15	View
37	beta-Zearalanol	-0.19	View
38	3-Hydroxy-estra-1,3,5(10)-trien-16-one	-0.29	View
39	3-Deoxyestradiol	-0.3	View
40	3,6,4'-Trihydroxyflavone	-0.35	View
41	Genistein	-0.36	View
42	4,4'-Dihydroxystilbene	-0.55	View
43	HPTE	-0.6	View
44	Monohydroxymethoxychlor olefin	-0.63	View
45	2,3,4,5-Tetrachloro-4'-biphenylol	-0.64	View
46	Norethynodrel	-0.67	View
47	2,2',4,4'-Tetrahydroxybenzil	-0.68	View
48	beta-Zearalenol	-0.69	View
49	Equol	-0.82	View
50	4',6-Dihydroxyflavone	-0.82	View
51	Monohydroxymethoxychlor	-0.89	View
52	3beta-Androstanediol	-0.92	View
53	Bisphenol B	-1.07	View
54	Phloretin	-1.16	View
55	3,4-Bis(4-methoxyphenyl)-3-hexene	-1.25	View
56	2',4,4'-Trihydroxychalcone	-1.26	View
57	4,4'-(1,2-Ethanediyl)bisphenol	-1.44	View
58	2,5-Dichloro-4'-biphenylol	-1.44	View
59	16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol	-1.48	View
60	Aurin	-1.5	View
61	Nordihydroguaiaretic acid	-1.51	View
62	Nonylphenol	-1.53	View
63	Apigenin	-1.55	View
64	Kaempferol	-1.61	View
65	Daidzein	-1.65	View
67	4-Dodecylphenol	-1.73	View
68	2-Ethylhexyl-4-hydroxybenzoate	-1.74	View
69	4-t-Octylphenol	-1.82	View
70	Phenolphthalein	-1.87	View
72	Heptyl p-hydroxybenzoate	-2.09	View
73	Bisphenol A	-2.11	View
74	Naringenin	-2.13	View
75	4-Chloro-4'-biphenylol	-2.18	View
76	3-Deoxy-estrone	-2.2	View
77	p-Cumyl phenol	-2.3	View
78	4-n-Octylphenol	-2.31	View
79	Fisetin	-2.35	View
80	3',4',7-Trihydroxy isoflavone	-2.35	View
81	Biochanin A	-2.37	View
82	4'-Hydroxychalcone	-2.43	View
83	2,2'-Methylenebis(4-chlorophenol)	-2.45	View
84	4,4'-Dihydoxy-benzophenone	-2.46	View
85	Benzyl 4-hydroxybenzoate	-2.54	View
86	4-Hydroxychalcone	-2.55	View
87	2,4-Dihydroxybenzophenone	-2.61	View
88	4'-hydroxyflavanone	-2.65	View
89	3alpha-Androstanediol	-2.67	View
90	4-Phenethylphenol	-2.69	View
92	Prunetin	-2.74	View
93	Myricetin	-2.75	View
94	2-Chloro-4-biphenylol	-2.77	View
95	3'-hydroxyflavanone	-2.78	View
96	Triphenylethylene	-2.78	View
97	Chalcone	-2.82	View
98	o,p'-DDT	-2.85	View
99	4-Heptyloxyphenol	-2.88	View
100	Dihydrotestosterone	-2.89	View
101	Formononetin	-2.98	View
102	Bis(4-hydroxyphenyl)methane	-3.02	View
103	4-Hydroxybiphenyl	-3.04	View
104	6-Hydroxyflavanone	-3.05	View
105	Baicalein	-3.05	View
106	n-Butyl 4-hydroxybenzoate	-3.07	View
107	4,4'-Sulfonyldiphenol	-3.07	View
108	Morin	-3.35	View
109	Diphenolic acid	-3.13	View
110	1,3-Diphenyltetramethyldisiloxane	-3.16	View
111	n-Propyl 4-hydroxybenzoate	-3.22	View
112	Ethyl 4-hydroxybenzoate	-3.22	View
113	3,3',5,5'-Tetrachloro-4,4'-biphenyldiol	-3.25	View
114	Phenol red	-3.25	View
115	4-tert-Amylphenol	-3.26	View
116	4-sec-Butylphenol	-3.37	View
117	4-Chloro-3-methylphenol	-3.38	View
118	6-Hydroxyflavone	-3.41	View
119	3-Phenylphenol	-3.44	View
120	4-(Benzyloxyl)phenol	-3.44	View
121	Methyl 4-hydroxybenzoate	-3.44	View
122	2-sec-Butylphenol	-3.54	View
123	4-tert-Butylphenol	-3.61	View
124	2,4'-Dichlorobiphenyl	-3.61	View
125	2-Chloro-4-methyl phenol	-3.66	View
126	4-Chloro-2-methyl phenol	-3.67	View
127	Phenolphthalin	-3.67	View
128	7-Hydroxyflavanone	-3.73	View
129	3-Ethylphenol	-3.87	View
131	4-Ethylphenol	-4.17	View
132	4-Cresol	-4.5	View
K1	2,2',3,3',4',5,5'-heptachloro-4-biphenylol	-1.5	View
K2	2,2',3,3',4',5-hexachloro-4-biphenylol	-1.65	View
K3	2,2',3',4,4',5,5'-heptachloro-3-biphenylol	-1.55	View
K4	2,2',3,4',5,5',6-heptachloro-4-biphenylol	-1.5	View
K5	2,2',3,4',5,5'-hexachloro-4-biphenylol	-2.02	View
K6	2,2',3',4',5'-pentachloro-4-biphenylol	-1.5	View
K7	2,2',3',4',6'-pentachloro-4-biphenylol	-1.01	View
K8	2,2',3',5',6'-pentachloro-4-biphenylol	-1.55	View
K9	2,2',4',6'-tetrachloro-4-biphenylol	-1.01	View
K10	2',3,3',4',5'-pentachloro-4-biphenylol	-1.46	View
K11	2,3,3',4',5-pentachloro-4-biphenylol	-2.02	View
K12	2',3,3',4',5-pentachloro-4-biphenylol	-2.51	View
K13	2',3,3',4',6'-pentachloro-4-biphenylol	-1.39	View
K14	2',3,3',5',6'-pentachloro-4-biphenylol	-1.72	View
K15	2',3,4',6'-tetrachloro-4-biphenylol	-1.24	View
K16	2,4,6-trichloro-4'-biphenylol	-0.11	View
K17	5-androstenediol	-0.49	View
K18	16a-bromoestradiol	1.41	View
K19	16-ketoestradiol	-0.38	View
K20	17-epiestriol	0.98	View
K21	2-hydroxyestrone	-0.19	View
K22	Raloxifene	1.37	View
K23	Zearalenone	0.37	View

Bibliography

Liu, H.; Papa, E.; Gramatica, P. QSAR Prediction of Estrogen Activity for a Large Set of Diverse Chemicals under the Guidance of OECD Principles. Chem. Res. Toxicol. 2006, 19, 1540–1548. https://doi.org/10.1021/tx0601509

10967/124 - QDB Compounds

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Liu, H.; Papa, E.; Gramatica, P. QSAR Prediction of Estrogen Activity for a Large Set of Diverse Chemicals under the Guidance of OECD Principles. Chem. Res. Toxicol. 2006, 19, 11, 1540–1548.

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