Ligand |
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| Ligand Name: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol | ||
| HET ID: BVB | PubChem: 18475115 | |
| DrugBank: - | ChEMBL: CHEMBL2208038 | |
| Canonical SMILES: Brc1ccc(cc1)/C=C/c1cc(O)cc(c1)O | ||
| Standard InChI: InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+ | ||
| Molecular Formula: C14H11BrO2 | Mol. Weight: 291.13995 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 4.0307 |
| HBD: 2 | HBA: 2 | TPSA: 40.46 |
| #Bonds: 18 | #Rotatable Bonds: 2 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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