UCSF

ZINC02578084

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 5-(2-Fluorophenyl)isoxazole 5-(2-Fluorophenyl)isoxazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 138716-36-6 , 387358-55-6

Download: MOL2 SDF SMILES Flexibase

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) 2.46 3.03 -5.98 0 2 0 26 163.151 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 68-70?/0.3mm Alfa-Aesar
BP 68-70°/0.3 Torr Matrix Scientific
Boiling_Point 68-70°/0.3mm Alfa-Aesar
Warnings Irritant Matrix Scientific
PUBCHEM_PATENT_ID US5103015 IBM Patent Data

Activity (Go SEA)

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

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