pKahub
About
Molecules
Datasets
Molecule ID:
mol21100
SMILES:
NC1NC=CN1
InChI:
InChI=1S/C3H7N3/c4-3-5-1-2-6-3/h1-3,5-6H,4H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.46
Baltruschat ChEMBL
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization