UCSF

ZINC09272834

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 No

Popular Name: 3-hydroxy-5-(4-hydroxyphenyl)-4-(4-isobutoxy-3-methylbenzoyl)-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-5-(4-hydroxyphenyl)-4-…

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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) 3.71 7.52 -62.57 1 7 -1 99 452.527 10 ↓
Mid Mid (pH 6-8) 4.16 6.82 -28.65 2 7 0 96 453.535 9 ↓
Mid Mid (pH 6-8) 3.13 -1.43 -21.76 1 7 0 93 453.535 10 ↓

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