UCSF

ZINC01459379

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 14 Yes

Popular Name: 2-(2,3-Dimethylphenoxy)propanoic acid 2-(2,3-Dimethylphenoxy)propanoic…

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CAS Numbers: 22504-84-3 , [22504-84-3]

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) 2.40 1.79 -48.8 0 3 -1 49 193.222 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 123 - 125 Enamine Building Blocks
MP 123...125 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Fluorochem
purity 95 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5928912 IBM Patent Data

Activity (Go SEA)

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