pKahub
About
Molecules
Datasets
Molecule ID:
mol28215
SMILES:
CSc1ccccc1S
InChI:
InChI=1S/C7H8S2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.75
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization