Molecule ID: mol3061
SMILES: Cn1nnnc1SCC1CS[C@@H]2C(=NC(=O)[C@H](O)c3ccccc3)C(=O)N2C1C(=O)O
InChI: InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,10,12-13,16,25H,7-8H2,1H3,(H,28,29)/t10?,12?,13-,16-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | AvLiLuMoVe | 1 » 0 |