UCSF

ZINC69518151

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 Yes

Popular Name: 3,7-dimethyl-8-[[[(1S)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]methyl]purine-2,6-dione 3,7-dimethyl-8-[[[(1S)-1-methyl-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.51 5.18 -51.21 3 9 1 107 332.388 5 ↓
Hi High (pH 8-9.5) -0.51 3.98 -12.31 2 9 0 103 331.38 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.