UCSF

ZINC02564083

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 2-Methyloctan-4-one 2-Methyloctan-4-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7492-38-8 , [7492-38-8]

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) 3.08 2.42 -4.26 0 1 0 17 142.242 5 ↓

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