UCSF

ZINC13451398

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 No

Popular Name: (5S)-4-(4-butoxy-3-methyl-benzoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one (5S)-4-(4-butoxy-3-methyl-benzoy…

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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) 4.03 7.99 -58.56 1 7 -1 99 452.527 11 ↓
Mid Mid (pH 6-8) 4.47 6.56 -29.1 2 7 0 96 453.535 10 ↓
Mid Mid (pH 6-8) 3.44 7.54 -25.93 1 7 0 93 453.535 11 ↓

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