UCSF

ZINC00073729

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 13 Yes

Popular Name: 4-(p-Tolyl)butanoic acid 4-(p-Tolyl)butanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4521-22-6 , [4521-22-6]

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) 2.60 8.1 -45.33 0 2 -1 40 177.223 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 150 / 1 TCI
MP 54 - 56 Enamine Building Blocks
Melting_Point 55-59? Alfa-Aesar
Melting_Point 55-59° Alfa-Aesar
MP 58 TCI
MP 58 - 60 Enamine Building Blocks
MP 58...60 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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