UCSF

ZINC32142939

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 10 Yes

Popular Name: 1-(5-Methylpyridin-3-yl)ethanone 1-(5-Methylpyridin-3-yl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Number: 42972-46-3

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) 1.03 3.85 -7.04 0 2 0 30 135.166 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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