Ligand id: 5519

Name: ASN04450772

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 202.25
Molecular weight 535.15
XLogP 2.38
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]