pKahub
About
Molecules
Datasets
Molecule ID:
mol20570
SMILES:
N#CNC(=N)N
InChI:
InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-0.40
OCHEM
1 » 0
-0.40
OCHEM
1 » 0
-0.40
Baltruschat ChEMBL
1 » 0
-0.40
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization