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:149
Name:Clonidine
Description:Alternative name from original table: (SKB6)
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.11

experimental value

-0.079

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

-0.0851

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

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