Molecule ID: mol29332
SMILES: NC[C@H](O)CC[C@H](N)C(=O)O
InChI: InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.13 | AttenGpKa training set | 2 » 1 |
| 8.62 | AttenGpKa training set | 1 » 0 |
| 9.67 | AttenGpKa training set | 0 » -1 |