pKahub
About
Molecules
Datasets
Molecule ID:
mol28193
SMILES:
SCCCCCS
InChI:
InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.82
QSARToolbox
-1 » -2
11.82
AttenGpKa training set
-1 » -2
13.27
AttenGpKa training set
-1 » -2
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization