 |
| Ligand Name:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID |
| HET ID: EPE |
PubChem:
23830,
23831,
3275884
|
| DrugBank: - |
ChEMBL: CHEMBL1232545 |
| Canonical SMILES: OCCN1CCN(CC1)CCS(=O)(=O)O |
| Standard InChI: InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14) |
| Molecular Formula: C8H18N2O4S |
Mol. Weight: 238.30452 |
Heavy Atoms: 15 |
| Charge: 0 |
Is Chiral: False |
logP: -0.5593 |
| HBD: 2 |
HBA: 6 |
TPSA: 89.46 |
| #Bonds: 15 |
#Rotatable Bonds: 5 |
Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |