UCSF

ZINC39341039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 12 No

Popular Name: 2-(4-fluoro-3-methylphenyl)-2-oxoacetaldehyde 2-(4-fluoro-3-methylphenyl)-2-ox…

Find On: PubMed — Wikipedia — Google

CAS Number: 81593-26-2

Other Names:

MFCD08448035

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) 1.82 5.83 -11.88 0 2 0 34 166.151 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 76 - 78 Enamine Building Blocks
MP 76...78 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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