UCSF

ZINC31555200

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 18 Yes

Popular Name: DL-1-(p-Fluoro-1-phenethyl)imidazole-5-carboxylic acid methyl ester hydrochloride; Imidazole-5-carboxylic acid, 1-(p-fluoro-alpha-methylbenzyl)-, methyl ester, hydrochloride, DL-; LS-78226 DL-1-(p-Fluoro-1-phenethyl)imida…

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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) 2.19 8.23 -9.28 0 4 0 44 248.257 4 ↓
Lo Low (pH 4.5-6) 2.19 8.74 -40.63 1 4 1 45 249.265 4 ↓

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