UCSF

ZINC00001549

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 Yes

Popular Name: 4-Isobutylphenylacetic acid 4-Isobutylphenylacetic acid

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CAS Numbers: 1553-60-2 , [1553-60-2]

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) 2.66 8.52 -45.88 0 2 -1 40 191.25 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 79 - 80 Enamine Building Blocks
MP 84 - 86 Enamine Building Blocks
MP 84...86 Enamine Building Blocks
MP 85-87° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem

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