UCSF

ZINC44199777

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 Yes

Popular Name: Methyl 5-bromo-2,3-dimethoxybenzoate Methyl 5-bromo-2,3-dimethoxybenz…

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CAS Numbers: 83131-08-2 , [83131-08-2]

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) 2.77 5.56 -7.09 0 4 0 45 275.098 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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