pKahub
About
Molecules
Datasets
Molecule ID:
mol24468
SMILES:
NCN(CN)CN
InChI:
InChI=1S/C3H12N4/c4-1-7(2-5)3-6/h1-6H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.56
AttenGpKa training set
2 » 1
9.59
AttenGpKa training set
1 » 0
10.29
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization