UCSF

ZINC09008248

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(2-thienyl)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) 2.85 6.61 -57.3 0 7 -1 82 453.54 9 ↓
Mid Mid (pH 6-8) 3.30 8.56 -47.61 2 7 1 81 455.556 8 ↓
Mid Mid (pH 6-8) 2.85 8.95 -72.36 1 7 0 83 454.548 9 ↓

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