Ligand |
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| Ligand Name: 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM | ||
| HET ID: NM2 | PubChem: 134 | |
| DrugBank: - | ChEMBL: CHEMBL1234760 | |
| Canonical SMILES: OC(=O)CCC[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1 | ||
| Molecular Formula: C7H16NO2+ | Mol. Weight: 146.20744 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: False | logP: 0.5574 |
| HBD: 1 | HBA: 2 | TPSA: 37.3 |
| #Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| PDBBind | Kd : 3900000 nM |