Ligand |
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| Ligand Name: 1H-INDOLE-3-CARBALDEHYDE | ||
| HET ID: I3A | PubChem: 10256 | |
| DrugBank: - | ChEMBL: CHEMBL147741 | |
| Canonical SMILES: O=Cc1c[nH]c2c1cccc2 | ||
| Standard InChI: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H | ||
| Molecular Formula: C9H7NO | Mol. Weight: 145.15797 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: 1.9804 |
| HBD: 1 | HBA: 1 | TPSA: 32.86 |
| #Bonds: 13 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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