UCSF

ZINC65336861

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 11 Yes

Popular Name: 5-Bromo-4-fluorobenzo[d][1,3]dioxole 5-Bromo-4-fluorobenzo[d][1,3]dio…

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CAS Numbers: 1226808-75-8 , [1226808-75-8]

Other Names:

AN-2569

MFCD16295053

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) 2.73 3.81 -5.93 0 2 0 18 219.009 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

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