compound 51 [PMID: 19743866]

Ligand id: 8653

Name: compound 51 [PMID: 19743866]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 11
Rotatable bonds 32
Topological polar surface area 340.7
Molecular weight 796.53
XLogP -0.67
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Ruiz-G√≥mez G, Lim J, Halili MA, Le GT, Madala PK, Abbenante G, Fairlie DP. (2009)
Structure-activity relationships for substrate-based inhibitors of human complement factor B.
J. Med. Chem., 52 (19): 6042-52. [PMID:19743866]