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:300
Name:Y-G 15
Description:Systematic name: N,N-Dimethyl-2-pyridineethylamine
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C9H14N2/c1-11(2)8-6-9-5-3-4-7-10-9/h3-5,7H,6,8H2,1-2H3

Properties

logBB: Blood-brain distribution

ValueSource or prediction
-0.06

experimental value

0.228

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

0.2438

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