UCSF

ZINC21987938

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 Yes

Popular Name: Methyl 3-bromo-4-hydroxy-5-methoxybenzoate Methyl 3-bromo-4-hydroxy-5-metho…

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CAS Numbers: 108249-43-0 , [108249-43-0]

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) 2.41 3.11 -7.09 1 4 0 56 261.071 3 ↓
Mid Mid (pH 6-8) 2.41 3.89 -38.95 0 4 -1 59 260.063 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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