UCSF

ZINC44604201

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 12 Yes

Popular Name: 7-Bromo-4H-chromen-4-one 7-Bromo-4H-chromen-4-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 168759-60-2 , [168759-60-2]

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) 2.60 5.24 -8.41 0 2 0 30 225.041 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0716652A1; US5428040; US5639759; US5874441; US6110910 IBM Patent Data

Activity (Go SEA)

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

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