UCSF

ZINC08914540

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 32 No

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

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Other Names:

MFCD02986952

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) 3.50 10.38 -59.52 0 8 -1 113 451.48 7 ↓
Mid Mid (pH 6-8) 2.92 1.58 -13.93 0 8 0 106 452.488 7 ↓
Lo Low (pH 4.5-6) 3.50 9.56 -17.1 1 8 0 110 452.488 7 ↓

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