Ligand id: 4487

Name: NADH

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 8
Rotatable bonds 11
Topological polar surface area 337.24
Molecular weight 665.12
XLogP -4.99
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Seiki S, Frishman WH. (2009)
Pharmacologic inhibition of squalene synthase and other downstream enzymes of the cholesterol synthesis pathway: a new therapeutic approach to treatment of hypercholesterolemia.
Cardiol Rev, 17 (2): 70-6. [PMID:19367148]
2. Shechter I, Klinger E, Rucker ML, Engstrom RG, Spirito JA, Islam MA, Boettcher BR, Weinstein DB. (1992)
Solubilization, purification, and characterization of a truncated form of rat hepatic squalene synthetase.
J. Biol. Chem., 267 (12): 8628-35. [PMID:1569107]