Molecule ID: mol29044

SMILES: Nc1ncnc2c1ncn2CCCCCP(=O)(O)O

InChI: InChI=1S/C10H16N5O3P/c11-9-8-10(13-6-12-9)15(7-14-8)4-2-1-3-5-19(16,17)18/h6-7H,1-5H2,(H2,11,12,13)(H2,16,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.06 AttenGpKa training set 1 » 0
4.17 AttenGpKa training set 0 » -1
7.75 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization