 |
| Ligand Name:
HISTIDINE |
| HET ID: HIS |
PubChem:
5288559,
5460943,
86580368
|
| DrugBank: - |
ChEMBL: CHEMBL1233334 |
| Canonical SMILES: N[C@H](C(=O)O)Cc1c[nH]c[nH+]1 |
| Standard InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1 |
| Molecular Formula: C6H10N3O2+ |
Mol. Weight: 156.1625 |
Heavy Atoms: 11 |
| Charge: 1 |
Is Chiral: True |
logP: -0.5165 |
| HBD: 4 |
HBA: 3 |
TPSA: 93.25 |
| #Bonds: 14 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.16666667 |
Ligand Type: Small Molecule |