UCSF

ZINC58332523

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 32 Yes

Popular Name: 3-butyl-8-[[(3S)-3-[2-(methoxymethyl)pyrimidin-4-yl]-1-piperidyl]methyl]-7-methyl-purine-2,6-dione 3-butyl-8-[[(3S)-3-[2-(methoxyme…

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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) 0.76 5.95 -16.35 1 10 0 111 441.536 8 ↓
Lo Low (pH 4.5-6) 0.76 8.16 -61.79 2 10 1 112 442.544 8 ↓

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

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