10967/234 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

ID:15763-76-5
Name:Sodium 4-isopropylbenzenesulfonate
Description:
Labels:eval
CAS:15763-76-5
InChi Code:InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.035358871

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)