UCSF

ZINC39320216

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 Yes

Popular Name: Ethyl 4-(4-bromophenyl)butanoate Ethyl 4-(4-bromophenyl)butanoate

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CAS Numbers: 105986-54-7 , [105986-54-7]

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) 3.64 9.07 -7.18 0 2 0 26 271.154 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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