UCSF

ZINC11952944

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2008 15 Yes

Popular Name: 4-(3,4-dimethylphenoxy)butanoic acid 4-(3,4-dimethylphenoxy)butanoic …

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CAS Number: 22180-03-6

Other Names:

MFCD08556236

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 1.36 -47.67 0 3 -1 49 207.249 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 92 Enamine Building Blocks
MP 90...92 Enamine Building Blocks
purity 95 Enamine Building Blocks

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