UCSF

ZINC09456659

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 No

Popular Name: methyl 4-{3-(4-ethoxybenzoyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate methyl 4-{3-(4-ethoxybenzoyl)-4-…

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Other Names:

MFCD03779715

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) 2.24 6.79 -44.5 1 9 -1 125 468.482 12 ↓
Mid Mid (pH 6-8) 2.69 5.25 -29.63 2 9 0 123 469.49 11 ↓
Mid Mid (pH 6-8) 1.66 6.23 -22.78 1 9 0 119 469.49 12 ↓

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