Ligand |
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| Ligand Name: Triisopropanolamine | ||
| HET ID: 96H | PubChem: 10886979 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C[C@@H](CN(C[C@@H](O)C)C[C@@H](O)C)O | ||
| Standard InChI: InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1 | ||
| Molecular Formula: C9H21NO3 | Mol. Weight: 191.26794 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: True | logP: -0.5692 |
| HBD: 3 | HBA: 4 | TPSA: 63.93 |
| #Bonds: 15 | #Rotatable Bonds: 6 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.33333334 | Ligand Type: Small Molecule | |
Binding Affinity |
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