Ligand |
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| Ligand Name: (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM | ||
| HET ID: CCD | PubChem: 24916842 | |
| DrugBank: - | ChEMBL: CHEMBL1231679 | |
| Canonical SMILES: C[C@H](CCC[N+](C)(C)C)O | ||
| Standard InChI: InChI=1S/C8H20NO/c1-8(10)6-5-7-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1/t8-/m1/s1 | ||
| Molecular Formula: C8H20NO+ | Mol. Weight: 146.2505 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: True | logP: 0.8536 |
| HBD: 1 | HBA: 1 | TPSA: 20.23 |
| #Bonds: 10 | #Rotatable Bonds: 4 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.125 | Ligand Type: Small Molecule | |
Binding Affinity |
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