UCSF

ZINC14982275

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 11 Yes

Popular Name: 7-bromoisoquinoline 7-bromoisoquinoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17680-55-6 , 223671-91-8 , 58794-09-5 , [58794-09-5]

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) 2.84 5.59 -4.27 0 1 0 13 208.058 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 69-72° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
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.