pKahub
About
Molecules
Datasets
Molecule ID:
mol16019
SMILES:
CN1CCCN1C
InChI:
InChI=1S/C5H12N2/c1-6-4-3-5-7(6)2/h3-5H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.67
Datawarrior
2 » 1
6.67
AttenGpKa training set
2 » 1
6.67
QSARToolbox
2 » 1
6.67
OCHEM
2 » 1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization