UCSF

ZINC35287567

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 13 No

Popular Name: methyl 3-bromo-2-(bromomethyl)benzoate methyl 3-bromo-2-(bromomethyl)be…

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CAS Numbers: 337536-14-8 , [3375-38-0] , [337536-14-8]

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) 3.19 6.85 -5.57 0 2 0 26 307.969 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.