pKahub
About
Molecules
Datasets
Molecule ID:
mol25208
SMILES:
n1nn[nH]n1
InChI:
InChI=1S/HN5/c1-2-4-5-3-1/h(H,1,2,3,4,5)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-8.90
AttenGpKa training set
2 » 1
-0.77
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization