Molecule ID: mol29602

SMILES: CC(C)n1cnc2cnc(NC(=N)N)nc21

InChI: InChI=1S/C9H13N7/c1-5(2)16-4-13-6-3-12-9(14-7(6)16)15-8(10)11/h3-5H,1-2H3,(H4,10,11,12,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization