Ligand |
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| Ligand Name: 3,4,5-trihydroxybenzoic acid | ||
| HET ID: GDE | PubChem: 370 | |
| DrugBank: - | ChEMBL: CHEMBL288114 | |
| Canonical SMILES: OC(=O)c1cc(O)c(c(c1)O)O | ||
| Standard InChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) | ||
| Molecular Formula: C7H6O5 | Mol. Weight: 170.11954 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: False | logP: 0.5016 |
| HBD: 4 | HBA: 5 | TPSA: 97.99 |
| #Bonds: 12 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Ki : 1730000 nM |