Ligand id: 9451

Name: DF2593A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 84.09
Molecular weight 422.15
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Moriconi A, Cunha TM, Souza GR, Lopes AH, Cunha FQ, Carneiro VL, Pinto LG, Brandolini L, Aramini A, Bizzarri C et al.. (2014)
Targeting the minor pocket of C5aR for the rational design of an oral allosteric inhibitor for inflammatory and neuropathic pain relief.
Proc. Natl. Acad. Sci. U.S.A., 111 (47): 16937-42. [PMID:25385614]