Ligand |
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| Ligand Name: Ethambutol | ||
| HET ID: 95E | PubChem: 14052 | |
| DrugBank: DB00330 | ChEMBL: CHEMBL44884 | |
| Canonical SMILES: CC[C@H](NCCN[C@H](CO)CC)CO | ||
| Standard InChI: InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 | ||
| Molecular Formula: C10H24N2O2 | Mol. Weight: 204.30975 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 0.4892 |
| HBD: 4 | HBA: 4 | TPSA: 64.52 |
| #Bonds: 15 | #Rotatable Bonds: 9 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.2 | Ligand Type: Small Molecule | |
Binding Affinity |
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