Ligand |
||
 | ||
| Ligand Name: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID | ||
| HET ID: NHE | PubChem: 3852474, 66898 | |
| DrugBank: DB03309 | ChEMBL: CHEMBL1234722 | |
| Canonical SMILES: OS(=O)(=O)CCNC1CCCCC1 | ||
| Standard InChI: InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12) | ||
| Molecular Formula: C8H17NO3S | Mol. Weight: 207.29048 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: False | logP: 2.2682 |
| HBD: 2 | HBA: 4 | TPSA: 74.78 |
| #Bonds: 13 | #Rotatable Bonds: 4 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: | |
Binding Affinity |
||
- |