UCSF

ZINC06678499

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 17 Yes

Popular Name: 4-(4-Ethoxy-3-methyl-phenyl)-4-hydroxy-butyric acid 4-(4-Ethoxy-3-methyl-phenyl)-4-h…

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CAS Numbers: 879053-56-2 , [879053-56-2]

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) 1.72 4.37 -48.05 1 4 -1 70 237.275 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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