Molecule ID: mol31406

SMILES: N[C@@H](CC(=O)NO)C(=O)O

InChI: InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.15 AttenGpKa training set 1 » 0
8.22 AttenGpKa training set 0 » -1
9.39 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization