Ligand |
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| Ligand Name: {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | ||
| HET ID: EDT | PubChem: 5232305, 6049 | |
| DrugBank: DB00974 | ChEMBL: CHEMBL858 | |
| Canonical SMILES: OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | ||
| Standard InChI: InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) | ||
| Molecular Formula: C10H16N2O8 | Mol. Weight: 292.24265 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: False | logP: -2.0712 |
| HBD: 4 | HBA: 10 | TPSA: 155.68 |
| #Bonds: 19 | #Rotatable Bonds: 11 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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