pKahub
About
Molecules
Datasets
Molecule ID:
mol28291
SMILES:
CS(=O)(=O)NN
InChI:
InChI=1S/CH6N2O2S/c1-6(4,5)3-2/h3H,2H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
1.67
AttenGpKa training set
1 » 0
11.46
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization