UCSF

ZINC41605713

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 Yes

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide N-(3-chloro-4-fluoro-phenyl)-2-[…

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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) 1.54 -0.57 -36.84 2 7 -1 111 329.72 4 ↓
Mid Mid (pH 6-8) 1.08 1.07 -13.55 3 7 0 108 330.728 4 ↓

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

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