UCSF

ZINC58537610

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 31 Yes

Popular Name: 2-fluoro-6-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]benzonitril 2-fluoro-6-[4-[[3-[3-(trifluorom…

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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) 4.13 9.06 -12.65 0 6 0 69 431.393 5 ↓
Mid Mid (pH 6-8) 4.13 11.31 -47.48 1 6 1 70 432.401 5 ↓

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

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