UCSF

ZINC00702673

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 No

Popular Name: ethyl 2-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2-(3-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate ethyl 2-[3-(3-fluoro-4-methylben…

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Other Names:

MFCD03837952

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) 3.10 10.72 -37.76 0 8 -1 113 480.497 7 ↓
Mid Mid (pH 6-8) 3.55 0.19 -33.1 1 8 0 109 481.505 6 ↓
Mid Mid (pH 6-8) 2.52 0.39 -25.33 0 8 0 106 481.505 7 ↓
Lo Low (pH 4.5-6) 3.55 0.3 -69.48 2 8 1 110 482.513 6 ↓
Lo Low (pH 4.5-6) 2.52 0.5 -61.42 1 8 1 107 482.513 7 ↓

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