AS101

Ligand id: 437

Name: AS101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 137.4
Molecular weight 524.23
XLogP 1.61
No. Lipinski's rules broken 2

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]