pKahub
About
Molecules
Datasets
Molecule ID:
mol30239
SMILES:
NC1=NCCS1
InChI:
InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.75
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization