UCSF

ZINC69740330

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 Yes

Popular Name: 3,7-dimethyl-8-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]purine-2,6-dione 3,7-dimethyl-8-[[(2R)-2-(pyrazol…

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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) -0.58 6.6 -43.47 2 9 1 95 344.399 4 ↓
Mid Mid (pH 6-8) -0.58 4.18 -8.94 1 9 0 94 343.391 4 ↓

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

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