UCSF

ZINC00407617

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 15 Yes

Popular Name: 5-(4-methylphenyl)-2-furoic acid 5-(4-methylphenyl)-2-furoic acid

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CAS Numbers: 52938-98-4 , [52938-98-4]

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) 3.13 1.72 -53.51 0 3 -1 53 201.201 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 254 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem

Activity (Go SEA)

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