UCSF

ZINC00394321

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 Yes

Popular Name: (3,5-Dimethyl-phenoxy)-acetic acid (3,5-Dimethyl-phenoxy)-acetic acid

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CAS Numbers: 5406-14-4 , [5406-14-4]

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) 2.07 1.54 -48.11 0 3 -1 49 179.195 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 110 - 112 Enamine Building Blocks
MP 110...112 Enamine Building Blocks
MP 111 - 113 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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