pKahub
About
Molecules
Datasets
Molecule ID:
mol28194
SMILES:
SCCOCCS
InChI:
InChI=1S/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.21
AttenGpKa training set
0 » -1
9.91
AttenGpKa training set
-1 » -2
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization