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: | 259 | |
|---|---|---|
| Name: | SKB19 | |
| Description: | Systematic name: N-(4-phenyl-2-thiazolyl)guanidine | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C10H10N4S/c11-9(12)14-10-13-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.18 |
experimental value |
| -0.052 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0755 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |