UCSF

ZINC38540328

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 13 Yes

Popular Name: methyl 3-amino-2,6-difluorobenzoate methyl 3-amino-2,6-difluorobenzoate

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CAS Numbers: 1392273-41-4 , 84832-02-0 , [1392273-41-4] , [84832-02-0]

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) 1.44 3.19 -9.96 2 3 0 52 187.145 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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

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