Molecule ID: mol30007

SMILES: CC(C)OP(=O)(COCCn1cnc2cnc(N=C(N)N)nc21)OC(C)C

InChI: InChI=1S/C15H26N7O4P/c1-10(2)25-27(23,26-11(3)4)9-24-6-5-22-8-19-12-7-18-15(20-13(12)22)21-14(16)17/h7-8,10-11H,5-6,9H2,1-4H3,(H4,16,17,18,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization