10967/137 - QDB Compounds

QsarDB Repository

Oja, M.; Maran, U. The permeability of artificial membrane for the wide range of pH in human gastrointestinal tract: experimental measurements and quantitative structure-activity relationship. Mol. Inf. 2015, 34, 493–506.

Compound

ID:9
Name:Dapson
Description:
Labels:pH7.4, Base
CAS:80-08-0
InChi Code:InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2

Properties

logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i

ValueSource or prediction
-7.06

experimental value

-6.58

Eq4: QSAR model for permeability of drugs and drug-like compounds (Training set)