UCSF

ZINC01368480

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 Yes

Popular Name: Ethanone, 1-(2,4-dimethoxyphenyl)-2-[[4-ethyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]- (9CI) Ethanone, 1-(2,4-dimethoxyphenyl…

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CAS Number: 606111-68-6

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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) 3.20 3.13 -14.78 0 7 0 79 373.434 8 ↓

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