UCSF

ZINC67935301

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 No

Popular Name: 3-(3,4-difluorophenyl)-5-[[(5R)-3-ethyl-4,5-dihydroisoxazol-5-yl]methyl]-6,7-dihydro-4H-isoxazolo[4, 3-(3,4-difluorophenyl)-5-[[(5R)-…

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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) 3.25 7.29 -15.38 0 5 0 51 347.365 4 ↓
Mid Mid (pH 6-8) 3.25 9.55 -51.65 1 5 1 52 348.373 4 ↓

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Rings

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

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