UCSF

ZINC02018681

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 No

Popular Name: (4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (4E)-4-(Ethoxymethylene)-2-pheny…

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CAS Number: 15646-46-5

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 0.89 -13.35 0 4 0 52 217.224 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 93-97? Alfa-Aesar
Melting_Point 93-97° Alfa-Aesar
MP 94 - 96 Enamine Building Blocks
MP 94...96 Enamine Building Blocks
purity 95 Enamine Building Blocks
UniProt Database Links CY24A_BISBI; CY24A_BOVIN; CY24A_DICDI; CY24A_HUMAN; CY24A_MOUSE; CY24A_PIG; CY24A_RABIT; CY24A_RAT; CY24A_TURTR; CY24B_BISBI; CY24B_BOVIN; CY24B_HUMAN; CY24B_MOUSE; CY24B_PIG; GP183_BOVIN; GP183_HUMAN; GP183_MOUSE; GP183_RAT; GST_PLAFA; H1BP3_HUMAN; H1BP3 ChEBI
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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