Ligand id: 7168

Name: disulfiram

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 121.26
Molecular weight 296.05
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Shen ML, Lipsky JJ, Naylor S. (2000)
Role of disulfiram in the in vitro inhibition of rat liver mitochondrial aldehyde dehydrogenase.
Biochem. Pharmacol., 60 (7): 947-53. [PMID:10974203]