Ligand |
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| Ligand Name: (4-oxoquinazolin-3(4H)-yl)acetic acid | ||
| HET ID: KKG | PubChem: 729359 | |
| DrugBank: - | ChEMBL: CHEMBL1471153 | |
| Canonical SMILES: OC(=O)Cn1cnc2c(c1=O)cccc2 | ||
| Standard InChI: InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14) | ||
| Molecular Formula: C10H8N2O3 | Mol. Weight: 204.18211 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: 0.4811 |
| HBD: 1 | HBA: 5 | TPSA: 72.19 |
| #Bonds: 16 | #Rotatable Bonds: 2 | Shape Complexity: 0.1 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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