UCSF

ZINC00811641

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 15 Yes

Popular Name: Diethylamino-phenyl-acetic acid Diethylamino-phenyl-acetic acid

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CAS Numbers: 1097635-16-9 , 1258639-34-7 , 850418-42-7 , [1097635-16-9]

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) 1.92 7.05 -33.2 1 3 0 45 207.273 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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