pKahub
About
Molecules
Datasets
Molecule ID:
mol1943
SMILES:
CS(=O)(=O)CCS
InChI:
InChI=1S/C3H8O2S2/c1-7(4,5)3-2-6/h6H,2-3H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.90
OCHEM
0 » -1
7.90
Hunt
0 » -1
7.90
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization