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:193
Name:Mannitol
Description:
Labels:Plasma, in_vivo
CAS:
InChi Code:InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2

Properties

logBB: Blood-brain distribution

ValueSource or prediction
-1.60

experimental value

-1.574

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

-1.5069

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