Ligand |
||
 | ||
| Ligand Name: Manno-epi-cyclophellitol aziridine | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1030 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC[C@@H]([C@@H]([C@@H]12)N2)[C@@H](O)[C@H](O)[C@@H]1O | ||
| Standard InChI: InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5+,6+,7-/m0/s1 | ||
| Molecular Formula: C7H13NO4 | Mol. Weight: 175.08446 | logP: -2.9684 |
| HBD: 5 | HBA: 5 | |
| #Rotatable Bonds: 1 | TPSA: 102.86 | |