UCSF

ZINC21994061

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 Yes

Popular Name: methyl 3-bromo-2-methylbenzoate methyl 3-bromo-2-methylbenzoate

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CAS Number: 99548-54-6

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) 2.93 5.93 -5.1 0 2 0 26 229.073 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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