UCSF

ZINC05226774

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 12 Yes

Popular Name: 2-(4-chlorophenyl)propanoic acid 2-(4-chlorophenyl)propanoic acid

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CAS Numbers: 52449-43-1 , 938-95-4 , [938-95-4]

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) 2.84 1.17 -44.08 0 2 -1 40 183.614 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 121-126?/0.2mm Alfa-Aesar
Boiling_Point 121-126°/0.2mm Alfa-Aesar
Melting_Point 55-59? Alfa-Aesar
Melting_Point 55-59° Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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