Ligand id: 5520

Name: ASN04885796

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 98.58
Molecular weight 517.21
XLogP 4.6
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Eberini I, Daniele S, Parravicini C, Sensi C, Trincavelli ML, Martini C, Abbracchio MP. (2011)
In silico identification of new ligands for GPR17: a promising therapeutic target for neurodegenerative diseases.
J. Comput. Aided Mol. Des., 25 (8): 743-52. [PMID:21744154]