UCSF

ZINC06499084

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 36 No

Popular Name: 4-(3,4-dimethoxybenzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5H-pyrrol 4-(3,4-dimethoxybenzoyl)-5-(4-et…

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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) 2.57 9.93 -58.95 0 10 -1 123 493.492 9 ↓
Mid Mid (pH 6-8) 3.02 8.31 -37.09 1 10 0 121 494.5 8 ↓
Mid Mid (pH 6-8) 1.99 9.34 -26.56 0 10 0 117 494.5 9 ↓

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