UCSF

ZINC39079879

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 Yes

Popular Name: ethyl 3-(2-bromophenyl)propanoate ethyl 3-(2-bromophenyl)propanoate

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CAS Numbers: 135613-33-1 , [135613-33-1]

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) 3.33 8.13 -5.33 0 2 0 26 257.127 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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