compound 20 [Shechter et al., 1996]

Ligand id: 3062

Name: compound 20 [Shechter et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 65.58
Molecular weight 403.22
XLogP 8.1
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Shechter I, Gu P, Jiang G, Onofrey TJ, Cann RO, Castro A, Spencer TA. (1996)
Sulfobetaine zwitterionic inhibitors of squalene synthase.
Bioorg. Med. Chem. Lett., 6 (21): 2585-2588.