UCSF

ZINC06620780

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 No

Popular Name: 4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(3-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione 4-[(3-butoxyphenyl)-hydroxy-meth…

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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) 3.33 6.52 -63.04 1 7 -1 99 424.473 10 ↓
Mid Mid (pH 6-8) 3.33 -1.53 -15.22 2 7 0 96 425.481 10 ↓
Mid Mid (pH 6-8) 2.75 -1.62 -23.97 1 7 0 93 425.481 10 ↓

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