Ligand |
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| Ligand Name: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | ||
| HET ID: MES | PubChem: 4478249, 78165 | |
| DrugBank: DB03814 | ChEMBL: CHEMBL1234276 | |
| Canonical SMILES: [O-]S(=O)(=O)CC[NH+]1CCOCC1 | ||
| Standard InChI: InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10) | ||
| Molecular Formula: C6H13NO4S | Mol. Weight: 195.23672 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: False | logP: 0.0967 |
| HBD: 1 | HBA: 4 | TPSA: 79.25 |
| #Bonds: 13 | #Rotatable Bonds: 3 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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