UCSF

ZINC09969586

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 32 No

Popular Name: 4-(3-fluoro-4-methyl-benzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)-5H-pyrr 4-(3-fluoro-4-methyl-benzoyl)-3-…

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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) 3.01 10.44 -49.93 0 9 -1 132 453.431 5 ↓
Mid Mid (pH 6-8) 3.45 1.25 -29.02 1 9 0 129 454.439 4 ↓
Mid Mid (pH 6-8) 2.42 1.53 -23.82 0 9 0 126 454.439 5 ↓

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