UCSF

ZINC09280616

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 12 No

Popular Name: 4-(p-Tolyl)butan-2-one 4-(p-Tolyl)butan-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7774-79-0 , [7774-79-0]

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) 2.63 2.25 -5.55 0 1 0 17 162.232 3 ↓

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% )