pKahub
About
Molecules
Datasets
Molecule ID:
mol21872
SMILES:
ON=NO
InChI:
InChI=1S/H2N2O2/c3-1-2-4/h(H,1,4)(H,2,3)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.11
AttenGpKa training set
1 » 0
7.05
AttenGpKa training set
1 » 0
11.00
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization