Ligand |
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| Ligand Name: isoquinoline-3-carboxylic acid | ||
| HET ID: 4K8 | PubChem: 124656 | |
| DrugBank: - | ChEMBL: CHEMBL1728638 | |
| Canonical SMILES: OC(=O)c1ncc2c(c1)cccc2 | ||
| Standard InChI: InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13) | ||
| Molecular Formula: C10H7NO2 | Mol. Weight: 173.16808 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: False | logP: 1.933 |
| HBD: 1 | HBA: 3 | TPSA: 50.19 |
| #Bonds: 14 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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