Ligand |
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| Ligand Name: CARNITINE | ||
| HET ID: 152 | PubChem: 10918 | |
| DrugBank: DB02648 | ChEMBL: CHEMBL1229656 | |
| Canonical SMILES: O[C@@H](C[N+](C)(C)C)CC(=O)O | ||
| Standard InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m1/s1 | ||
| Molecular Formula: C7H16NO3+ | Mol. Weight: 162.20683 | Heavy Atoms: 11 |
| Charge: 1 | Is Chiral: True | logP: -0.4718 |
| HBD: 2 | HBA: 3 | TPSA: 57.53 |
| #Bonds: 11 | #Rotatable Bonds: 4 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.14285715 | Ligand Type: Small Molecule | |
Binding Affinity |
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