Molecule ID: mol16491
SMILES: c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccn5)CC4)nc4ccccc34)CC2)cc1
InChI: InChI=1S/C29H33N7/c1-2-8-23(9-3-1)22-34-16-13-24(14-17-34)31-28-25-10-4-5-11-26(25)32-29(33-28)36-20-18-35(19-21-36)27-12-6-7-15-30-27/h1-12,15,24H,13-14,16-22H2,(H,31,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.03 | Baltruschat ChEMBL | 1 » 0 |