UCSF

ZINC67432222

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 22 Yes

Popular Name: 2-isobutyl-6-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine 2-isobutyl-6-(6-methyl-2-methyls…

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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) 2.89 8.46 -8.43 0 5 0 55 315.446 4 ↓
Lo Low (pH 4.5-6) 2.89 8.89 -29.31 1 5 1 56 316.454 4 ↓

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

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