10967/132 - QDB Compounds

QsarDB Repository

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:200
Name:Midazolam
Description:
Labels:Serum, in_vivo
CAS:
InChi Code:InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.40

experimental value

0.398

Eq2: Model for drug-like chemicals, in vivo (Training set)

0.3597

Eq5: Model for all chemicals, in vivo and in vitro (Training set)

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