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:36
Name:Sulfamethoxypyridazine
Description:
Labels:pH5, Ampholyte
CAS:80-35-3
InChi Code:InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)

Properties

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

ValueSource or prediction
-6.86

experimental value

-6.98

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

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