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: | 231 | |
|---|---|---|
| Name: | Physostigmine | |
| Description: | ||
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.08 |
experimental value |
| 0.000 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| 0.0063 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |