UCSF

ZINC02558331

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 No

Popular Name: 4-[(3-Bromobenzyl)oxy]benzaldehyde 4-[(3-Bromobenzyl)oxy]benzaldehyde

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CAS Numbers: 588676-02-2 , [588676-02-2]

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) 4.16 1.05 -9.17 0 2 0 26 291.144 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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