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:27090-63-7
Name:N,N,N',N'-Tetrabutyl-1,6-hexanediamine
Description:
Labels:training
CAS:27090-63-7
InChi Code:InChI=1S/C22H48N2/c1-5-9-17-23(18-10-6-2)21-15-13-14-16-22-24(19-11-7-3)20-12-8-4/h5-22H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.00668525

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