Ligand |
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| Ligand Name: H-diaziflurane | ||
| Canonical SMILES: FC(F)(F)COC(F)(F)F | ||
| Standard InChI: InChI=1S/C3H2F6O/c4-2(5,6)1-10-3(7,8)9/h1H2 | ||
| HET Code: DFE | PubChem: 2777154 | |
| DrugBank: - | ChEMBL: CHEMBL510635 | |
| Molecular Formula: C3H2F6O | Mol. Weight: 168.00098 | logP: 2.0851 |
| HBD: 0 | HBA: 1 | |
| #Rotatable Bonds: 1 | TPSA: 9.23 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Aliphatic Subsititution | SER 27 | A | 16.93 | - | Alkyl Halide |  |
Binding Affinity |
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- |