Ligand |
||
 | ||
| Ligand Name: BICINE | ||
| HET ID: BCN | PubChem: 5256512, 8761 | |
| DrugBank: DB03709 | ChEMBL: CHEMBL1231251 | |
| Canonical SMILES: OCCN(CC(=O)O)CCO | ||
| Standard InChI: InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11) | ||
| Molecular Formula: C6H13NO4 | Mol. Weight: 163.17172 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: -1.6424 |
| HBD: 3 | HBA: 5 | TPSA: 81.0 |
| #Bonds: 10 | #Rotatable Bonds: 6 | Shape Complexity: 0.8333333 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |