UCSF

ZINC71251215

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2011 9 Yes

Popular Name: 3-bromobicyclo[4.2.0]octa-1,3,5-triene 3-bromobicyclo[4.2.0]octa-1,3,5-…

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CAS Numbers: 1073-39-8 , [1073-39-8]

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) 2.89 6.49 -2.81 0 0 0 0 183.048 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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