compound 9 [PMID: 3514912]

Ligand id: 8559

Name: compound 9 [PMID: 3514912]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 90.7
Molecular weight 269.12
XLogP 4.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kaminski JM, Bauer L, Mack SR, Anderson Jr RA, Waller DP, Zaneveld LJ. (1986)
Synthesis and inhibition of human acrosin and trypsin and acute toxicity of aryl 4-guanidinobenzoates.
J. Med. Chem., 29 (4): 514-9. [PMID:3514912]