pKahub
About
Molecules
Datasets
Molecule ID:
mol25278
SMILES:
N=C1CSC=C1N
InChI:
InChI=1S/C4H6N2S/c5-3-1-7-2-4(3)6/h1,6H,2,5H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
1.75
AttenGpKa training set
2 » 1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization