B3C

Ligand id: 7859

Name: B3C

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 22
Topological polar surface area 189.48
Molecular weight 777.37
XLogP 9.84
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
protease, serine 8 Inhibitor Inhibition 7.9 pKi - 1
pKi 7.9 (Ki 1.2x10-8 M) [1]