Ligand |
||
 | ||
| Ligand Name: 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid | ||
| HET ID: CQZ | PubChem: 53408821 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OCCCNc1nccc(c1)C(=O)O | ||
| Standard InChI: InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14) | ||
| Molecular Formula: C9H12N2O3 | Mol. Weight: 196.20319 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 0.6471 |
| HBD: 3 | HBA: 5 | TPSA: 82.45 |
| #Bonds: 14 | #Rotatable Bonds: 5 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |