compound 1 [PMID: 15724976]

Ligand id: 7507

Name: compound 1 [PMID: 15724976]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 82.81
Molecular weight 196.11
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Zeng L, Li J, Muller M, Yan S, Mujtaba S, Pan C, Wang Z, Zhou MM. (2005)
Selective small molecules blocking HIV-1 Tat and coactivator PCAF association.
J. Am. Chem. Soc., 127 (8): 2376-7. [PMID:15724976]