UCSF

ZINC09359604

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 No

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

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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) 4.15 10 -60.29 0 8 -1 97 496.58 13 ↓
Mid Mid (pH 6-8) 4.60 8.55 -30.43 1 8 0 95 497.588 12 ↓
Mid Mid (pH 6-8) 3.57 9.57 -24.41 0 8 0 91 497.588 13 ↓

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