UCSF

ZINC09019950

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 36 No

Popular Name: 4-(4-butoxy-3-methyl-benzoyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol- 4-(4-butoxy-3-methyl-benzoyl)-5-…

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Download: MOL2 SDF SMILES Flexibase

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) 4.22 9.06 -43.53 1 8 -1 108 496.58 13 ↓
Mid Mid (pH 6-8) 4.67 7.46 -30.38 2 8 0 106 497.588 12 ↓
Mid Mid (pH 6-8) 3.64 8.44 -25.26 1 8 0 102 497.588 13 ↓

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