UCSF

ZINC18127037

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 28 No

Popular Name: (4E,5R)-4-[(3,4-dimethoxyphenyl)-hydroxy-methylene]-5-(4-ethylphenyl)-1-methyl-pyrrolidine-2,3-dione (4E,5R)-4-[(3,4-dimethoxyphenyl)…

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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) 2.94 9.03 -55.56 0 6 -1 79 380.42 6 ↓
Mid Mid (pH 6-8) 2.36 8.54 -13.38 0 6 0 73 381.428 6 ↓
Lo Low (pH 4.5-6) 2.94 7.74 -19.45 1 6 0 76 381.428 6 ↓

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