Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds. SAR QSAR Environ. Res. 2015, 26, 701-719.
Compound
| ID: | B26 | |
|---|---|---|
| Name: | Fluvoxamine | |
| Description: | ||
| Labels: | Base | |
| CAS: | 54739-18-3 | |
| InChi Code: | InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ |
Properties
logPeff_pH7.4: Logarithmic effective membrane permeability at pH 7.4 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.89 |
experimental value |
| -5.57 |
Eq.11: QSAR model for membrane permeability of basic compounds at pH 7.4 (Validation set) |
logPeff_pH9: Logarithmic effective membrane permeability at pH 9 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.69 |
experimental value |
| -4.99 |
Eq.12: QSAR model for membrane permeability of basic compounds at pH 9 (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2044002 | US EPA CompTox Dashboard |