Ligand id: 2819

Name: propylpyrazoletriol

Abbreviated name: PPT

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 77.99
Molecular weight 386.16
XLogP 5.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Estrogen receptor-α Hs Agonist Agonist 9.6 pKi - 1-2
pKi 9.6 [1-2]