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:88-51-7
Name:2-Amino-4-chloro-5-methylbenzenesulfonic acid
Description:
Labels:eval
CAS:88-51-7
InChi Code:InChI=1S/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.049625021

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