UCSF

ZINC04521187

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 9 Yes

Popular Name: 1,2-Benzisoxazole 1,2-Benzisoxazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 271-58-9 , 271-95-4

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) 1.73 3.94 -8.21 0 2 0 26 119.123 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 100 / 26 TCI
Boiling_Point 90-92?/15mm Alfa-Aesar
Boiling_Point 90-92°/15mm Alfa-Aesar
Purity 95% Fluorochem
Purity 99% Fluorochem
Patent Database Links EP0985662; WO2008154484 ChEBI

Activity (Go SEA)

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

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