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:70862-65-6
Name:1,3-Didecyl-2-methylimidazolium chloride
Description:
Labels:eval
CAS:70862-65-6
InChi Code:InChI=1S/C24H47N2/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2/h22-23H,4-21H2,1-3H3/q+1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.046390704

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