10967/260 - QDB Compounds

QsarDB Repository

Hewitt, M.; Madden, J.C.; Rowe, P.H.; Cronin, M.T.D. Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier. SAR QSAR Environ. Res. 2007, 18, 57-76.

Compound

ID:37
Name:Ganciclovir
Description:
Labels:
CAS:82410-32-0
InChi Code:InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)

Properties

CI: Clearance Index

ValueSource or prediction
0.17

experimental value

0.22637

Eq.3: QSAR model to predict placental transfer (Training set)