UCSF

ZINC41606171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 22 Yes

Popular Name: (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(2-fluorophenyl)butanamide (2R)-2-[(3,5-dioxo-2H-1,2,4-tria…

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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) 1.75 0.31 -42.34 2 7 -1 111 323.329 5 ↓
Mid Mid (pH 6-8) 1.29 1.94 -10.67 3 7 0 108 324.337 5 ↓

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

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