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: | 115 | |
|---|---|---|
| Name: | 5-Propyl-5-ethyl barbituric acid | |
| Description: | ||
| Labels: | Plasma, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H14N2O3/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13/h3-5H2,1-2H3,(H2,10,11,12,13,14) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.09 |
experimental value |
| -0.057 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0448 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |