Ligand |
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| Ligand Name: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide | ||
| HET ID: UZP | PubChem: 154585753 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CCCCCNC(=O)C[C@@H](c1ccc(cc1Cl)Cl)CC(=O)NO | ||
| Standard InChI: InChI=1S/C16H22Cl2N2O3/c1-2-3-4-7-19-15(21)8-11(9-16(22)20-23)13-6-5-12(17)10-14(13)18/h5-6,10-11,23H,2-4,7-9H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1 | ||
| Molecular Formula: C16H22Cl2N2O3 | Mol. Weight: 361.2635 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: True | logP: 4.4508 |
| HBD: 3 | HBA: 5 | TPSA: 78.43 |
| #Bonds: 24 | #Rotatable Bonds: 11 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0625 | Ligand Type: Small Molecule | |
Binding Affinity |
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