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Ligand Download |
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| Ligand Name: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | ||
| HET ID: EPE | PubChem: 23830, 23831, 3275884 | |
| DrugBank: - | ChEMBL: CHEMBL1232545 | |
| Canonical SMILES: OCCN1CCN(CC1)CCS(=O)(=O)O | ||
| Standard InChI: InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14) | ||
| Molecular Formula: C8H18N2O4S | Mol. Weight: 238.30452 | Heavy Atoms: 15 |
| Charge: 0 | Is Chiral: False | logP: -0.5593 |
| HBD: 2 | HBA: 6 | TPSA: 89.46 |
| #Bonds: 15 | #Rotatable Bonds: 5 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | ||