UCSF

ZINC09065153

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 35 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-5-(4-nitrophenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-allyloxyphenyl)-hydroxy-me…

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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) 3.20 10.37 -57.79 0 9 -1 128 470.461 9 ↓
Mid Mid (pH 6-8) 3.65 10.31 -16.35 1 9 0 126 471.469 8 ↓
Lo Low (pH 4.5-6) 3.65 10.61 -44.88 2 9 1 127 472.477 8 ↓

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