Ligand |
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| Ligand Name: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | ||
| HET ID: BTB | PubChem: 81462 | |
| DrugBank: DB02748 | ChEMBL: CHEMBL1229649 | |
| Canonical SMILES: OCCN(C(CO)(CO)CO)CCO | ||
| Standard InChI: InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2 | ||
| Molecular Formula: C8H19NO5 | Mol. Weight: 209.24016 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: -3.0113 |
| HBD: 5 | HBA: 6 | TPSA: 104.39 |
| #Bonds: 13 | #Rotatable Bonds: 8 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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