UCSF

ZINC02521382

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 Yes

Popular Name: 5-(3-Chloro-4-fluoro-phenoxymethyl)-furan-2-carboxylic acid 5-(3-Chloro-4-fluoro-phenoxymeth…

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CAS Number: 832737-77-6

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) 3.43 1.69 -52.16 0 4 -1 62 269.635 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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