UCSF

ZINC00403406

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23786-13-2 , 938-94-3 , [938-94-3]

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) 2.61 1.64 -47.91 0 2 -1 40 163.196 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 37-42° Oakwood Chemical
mp 41 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

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