Ligand |
||
 | ||
| Ligand Name: LEUCINE | ||
| HET ID: LEU | PubChem: 6106, 7045798 | |
| DrugBank: DB00149 | ChEMBL: CHEMBL291962 | |
| Canonical SMILES: N[C@H](C(=O)O)CC(C)C | ||
| Standard InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 | ||
| Molecular Formula: C6H13NO2 | Mol. Weight: 131.17291 | Heavy Atoms: 9 |
| Charge: 0 | Is Chiral: True | logP: 1.1447 |
| HBD: 2 | HBA: 3 | TPSA: 63.32 |
| #Bonds: 9 | #Rotatable Bonds: 3 | Shape Complexity: 0.8333333 |
| Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |