UCSF

ZINC09272042

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 37 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2 3-hydroxy-4-(4-isobutoxy-3-methy…

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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) 3.55 9.6 -45.39 0 9 -1 107 512.579 12 ↓
Mid Mid (pH 6-8) 4.00 8.07 -32.45 1 9 0 104 513.587 11 ↓
Mid Mid (pH 6-8) 2.97 9.1 -25.96 0 9 0 101 513.587 12 ↓

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