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:6088-51-3
Name:6-Hydroxy-2-naphthyl disulfide
Description:
Labels:training
CAS:6088-51-3
InChi Code:InChI=1S/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.282867485

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