pKahub
About
Molecules
Datasets
Molecule ID:
mol20017
SMILES:
c1cnsc1
InChI:
InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-0.52
AttenGpKa training set
1 » 0
-0.51
Baltruschat ChEMBL
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization