diphosphoric acid

Ligand id: 3151

Name: diphosphoric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 143.91
Molecular weight 177.94
XLogP -3.48
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 human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
farnesyl diphosphate synthase Inhibitor Inhibition 4.5 – 7.4 pKi - 1
pKi 7.4 (Ki 4.05x10-8 M) [1]
Description: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
Conditions: pH 7.5, 37°C. initial Ki
pKi 4.5 (Ki 2.98x10-8 M) [1]
Description: Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
Conditions: pH 7.5, 37°C. final Ki