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: | 260 | |
|---|---|---|
| Name: | SKB2 | |
| Description: | Systematic name: N-(4-methyl-2-thiazolyl)guanidine | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C5H8N4S/c1-3-2-10-5(8-3)9-4(6)7/h2H,1H3,(H4,6,7,8,9) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -0.04 |
experimental value |
| -0.071 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0828 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |