UCSF

ZINC00575364

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 Yes

Popular Name: 3-(4-Fluoro-benzyloxy)-benzoic acid 3-(4-Fluoro-benzyloxy)-benzoic acid

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CAS Numbers: 457-97-6 , [457-97-6]

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) 3.64 1.71 -53.36 0 3 -1 49 245.229 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 143 - 145 Enamine Building Blocks
MP 143...145 Enamine Building Blocks
MP 150-152° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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

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