Molecule ID: mol29631

SMILES: CC(C)n1cnc2c(NC(=N)N)nc(N)nc21

InChI: InChI=1S/C9H14N8/c1-4(2)17-3-13-5-6(14-8(10)11)15-9(12)16-7(5)17/h3-4H,1-2H3,(H6,10,11,12,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.23 AttenGpKa training set 1 » 0
8.23 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization