UCSF

ZINC12471629

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 10 No

Popular Name: 3-Bromo-2-hydroxybenzaldehyde 3-Bromo-2-hydroxybenzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1829-34-1 , [1829-34-1]

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) 2.22 2.13 -6.11 1 2 0 37 201.019 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 51 - 55 Enamine Building Blocks
MP 52 - 54 Enamine Building Blocks
MP 52...54 Enamine Building Blocks
MP 53-57° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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