simeprevir

Ligand id: 7367

Name: simeprevir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 193.51
Molecular weight 749.29
XLogP 3.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Selectivity at hepatitis c virus other protein targets
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Hepatitis C virus genome polyprotein Inhibitor Inhibition 9.4 pKi - 1
pKi 9.4 (Ki 3.6x10-10 M) [1]