UCSF

ZINC01040337

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 27 Yes

Popular Name: 1-[1-(4-ethylphenyl)ethyl]-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione 0.5 hydrate 1-[1-(4-ethylphenyl)ethyl]-3-(2-…

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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) 4.39 1.65 -13.37 1 6 0 72 360.417 4 ↓

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