Ligand id: 463

Name: dexniguldipine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 111.01
Molecular weight 609.28
XLogP 11.91
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. van Rhee AM, Jiang JL, Melman N, Olah ME, Stiles GL, Jacobson KA. (1996)
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
J Med Chem, 39: 2980-2989. [PMID:8709132]