UCSF

ZINC57730438

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 30 Yes

Popular Name: (3R,5S)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-5-(1-ethyl-3-methyl-pyrazol-4-yl)-2-methyl-1,1-dioxo- (3R,5S)-N-(3-cyano-4-ethyl-5-met…

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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) 1.49 4.17 -17.06 2 9 0 120 450.59 5 ↓
Mid Mid (pH 6-8) 1.49 3.87 -43.69 1 9 -1 122 449.582 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.