Molecule ID: mol29630

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

InChI: InChI=1S/C9H14N8/c1-4(2)17-3-13-5-6(10)14-9(15-7(5)17)16-8(11)12/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
9.64 AttenGpKa training set 1 » 0
9.64 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization