pKahub
About
Molecules
Datasets
Molecule ID:
mol28210
SMILES:
SCCSCCS
InChI:
InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.09
AttenGpKa training set
-1 » -2
10.10
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization