Molecule ID: mol605
SMILES: C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NS(C)(=O)=O)sc12
InChI: InChI=1S/C16H17F2N5O3S3/c1-8(6-24)19-13-12-14(22-16(28-12)23-29(2,25)26)21-15(20-13)27-7-9-4-3-5-10(17)11(9)18/h3-5,8,24H,6-7H2,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | Hunt | 0 » -1 |
| 4.70 | Baltruschat ChEMBL | 0 » -1 |