UCSF

ZINC09461301

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 35 No

Popular Name: 3-hydroxy-4-(4-methoxybenzoyl)-1-(5-methylisoxazol-3-yl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-methoxybenzoyl)-1…

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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) 2.59 7.98 -56.35 0 10 -1 123 479.465 8 ↓
Mid Mid (pH 6-8) 3.04 7.39 -37.18 1 10 0 121 480.473 7 ↓
Mid Mid (pH 6-8) 2.01 8.38 -28.14 0 10 0 117 480.473 8 ↓

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