UCSF

ZINC13407485

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 25 No

Popular Name: N-[(2-bromo-5-methoxy-7-bicyclo[4.2.0]octa-1,3,5-trienylidene)amino]-2,4-dinitro-aniline N-[(2-bromo-5-methoxy-7-bicyclo[…

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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) 5.44 9.69 -9.22 1 9 0 125 407.18 5 ↓

Vendor Notes

Note Type Comments Provided By
mp 288 - 289 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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