compound 27 [PMID: 26938474]

Ligand id: 9084

Name: compound 27 [PMID: 26938474]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 140.46
Molecular weight 293
XLogP 0.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Borthwick JA, Ancellin N, Bertrand SM, Bingham RP, Carter PS, Chung CW, Churcher I, Dodic N, Fournier C, Francis PL et al.. (2016)
Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J. Med. Chem., 59 (6): 2452-67. [PMID:26938474]