pKahub
About
Molecules
Datasets
Molecule ID:
mol28885
SMILES:
O=P(O)(O)F
InChI:
InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
0.55
AttenGpKa training set
0 » -1
4.80
AttenGpKa training set
-1 » -2
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization