Ligand |
||
 | ||
| Ligand Name: NG,NG-DIMETHYL-L-ARGININE | ||
| HET ID: DA2 | PubChem: 123831 | |
| DrugBank: DB01686 | ChEMBL: CHEMBL457530 | |
| Canonical SMILES: OC(=O)[C@H](CCCNC(=N)N(C)C)N | ||
| Standard InChI: InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1 | ||
| Molecular Formula: C8H18N4O2 | Mol. Weight: 202.25412 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 0.4554 |
| HBD: 4 | HBA: 6 | TPSA: 102.44 |
| #Bonds: 14 | #Rotatable Bonds: 7 | Shape Complexity: 0.75 |
| Stereocomplexity: 0.125 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |