pKahub
About
Molecules
Datasets
Molecule ID:
mol25309
SMILES:
CN=c1n(C)nnn1C
InChI:
InChI=1S/C4H9N5/c1-5-4-8(2)6-7-9(4)3/h1-3H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.57
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization