Ligand |
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| Ligand Name: PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) | ||
| HET ID: PIN | PubChem: 6992709, 79723 | |
| DrugBank: - | ChEMBL: CHEMBL1235308 | |
| Canonical SMILES: OS(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O | ||
| Standard InChI: InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16) | ||
| Molecular Formula: C8H18N2O6S2 | Mol. Weight: 302.36832 | Heavy Atoms: 18 |
| Charge: 0 | Is Chiral: False | logP: 0.417 |
| HBD: 2 | HBA: 8 | TPSA: 131.98 |
| #Bonds: 18 | #Rotatable Bonds: 6 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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