pKahub
About
Molecules
Datasets
Molecule ID:
mol25243
SMILES:
N=C1N=CCS1
InChI:
InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1,4H,2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-5.46
AttenGpKa training set
2 » 1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization