UCSF

ZINC21304142

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 12 Yes

Popular Name: 7-Bromo-3,4-dihydro-2H-isoquinolin-1-one 7-Bromo-3,4-dihydro-2H-isoquinol…

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CAS Numbers: 891782-60-8 , [891782-60-8]

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) 1.91 3.54 -10.58 1 2 0 29 226.073 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 144 - 146 Enamine Building Blocks
MP 144...146 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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

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