Ligand |
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| Ligand Name: [(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium | ||
| HET ID: DV6 | PubChem: 154573797 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: SS[C@H]1NC=C(N1)C[C@H]([N+](C)(C)C)C(=O)O | ||
| Standard InChI: InChI=1S/C9H17N3O2S2/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7,9-11H,4H2,1-3H3,(H-,13,14,15)/p+1/t7-,9-/m0/s1 | ||
| Molecular Formula: C9H18N3O2S2+ | Mol. Weight: 264.38812 | Heavy Atoms: 16 |
| Charge: 1 | Is Chiral: True | logP: 1.0893 |
| HBD: 4 | HBA: 6 | TPSA: 125.46 |
| #Bonds: 18 | #Rotatable Bonds: 5 | Shape Complexity: 0.6666667 |
| Stereocomplexity: 0.22222222 | Ligand Type: Small Molecule | |
Binding Affinity |
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