Ligand |
||
 | ||
| Ligand Name: 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium | ||
| HET ID: REE | PubChem: 123869 | |
| DrugBank: - | ChEMBL: CHEMBL1235648 | |
| Canonical SMILES: OC(=O)CCN[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3/p+1 | ||
| Molecular Formula: C6H15N2O2+ | Mol. Weight: 147.1955 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: False | logP: 0.0628 |
| HBD: 2 | HBA: 3 | TPSA: 49.33 |
| #Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 0.8333333 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |