UCSF

ZINC20896786

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 Yes

Popular Name: 5-(2,4-dioxo-6-pyrrol-1-yl-1H-pyrimidin-5-yl)-6-phenyl-1,7-dihydropyrrolo[3,2-e]pyrimidine-2,4-dione 5-(2,4-dioxo-6-pyrrol-1-yl-1H-py…

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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) 1.61 2.39 -47.38 4 10 -1 155 401.362 3 ↓
Hi High (pH 8-9.5) 2.07 1.75 -100.02 3 10 -2 158 400.354 3 ↓
Mid Mid (pH 6-8) 2.07 1.75 -100.02 3 10 -2 158 400.354 3 ↓
Mid Mid (pH 6-8) 1.16 4.41 -16.48 5 10 0 152 402.37 3 ↓
Lo Low (pH 4.5-6) 1.61 2.52 -50.84 4 10 -1 155 401.362 3 ↓

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