AS70

Ligand id: 382

Name: AS70

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 119.9
Molecular weight 534.27
XLogP 2.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Varani K, Gessi S, Merighi S, Vincenzi F, Cattabriga E, Benini A, Klotz KN, Baraldi PG, Tabrizi MA, Lennan SM, Leung E, Borea PA. (2005)
Pharmacological characterization of novel adenosine ligands in recombinant and native human A2B receptors.
Biochem Pharmacol70: 1601-1612. [PMID:16219300]