pKahub
About
Molecules
Datasets
Molecule ID:
mol25274
SMILES:
Cn1nnnc1CN
InChI:
InChI=1S/C3H7N5/c1-8-3(2-4)5-6-7-8/h2,4H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
0.55
AttenGpKa training set
2 » 1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization