7NI

Ligand id: 5127

Name: 7NI

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 71.82
Molecular weight 163.04
XLogP 2.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Neuronal NOS Hs Inhibitor Inhibition 5.3 pIC50 - 1
pIC50 5.3 (IC50 5x10-6 M) [1]