Ligand id: 9828

Name: alvespimycin

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 169.52
Molecular weight 616.35
XLogP 1.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Selectivity at other protein targets
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
heat shock protein 90 alpha family class A member 1 Hs Inhibitor Inhibition 8.4 pIC50 - 2
pIC50 8.4 (IC50 4.5x10-9 M) [2]