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: | 291 | |
|---|---|---|
| Name: | Toliprolol | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.47 |
experimental value |
| 0.248 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.2630 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |