Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.
Compound
| ID: | 301 | |
|---|---|---|
| Name: | Y-G 16 | |
| Description: | Systematic name: 2-(1,3-Thiazol-2-yl)ethanamine | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.42 |
experimental value |
| -0.049 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0517 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |