UCSF

ZINC18043601

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 32 No

Popular Name: (4Z,5S)-4-(hydroxy-phenyl-methylene)-1-(2-morpholinoethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione (4Z,5S)-4-(hydroxy-phenyl-methyl…

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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) 2.21 8.13 -54.16 0 9 -1 119 436.444 7 ↓
Mid Mid (pH 6-8) 2.21 9.68 -57.59 2 9 1 117 438.46 7 ↓
Mid Mid (pH 6-8) 2.21 10.45 -71.21 1 9 0 120 437.452 7 ↓

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