UCSF

ZINC00391423

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 No

Popular Name: methyl 2-methyl-3-oxopentanoate methyl 2-methyl-3-oxopentanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17422-12-7 , [17422-12-7]

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) 0.97 3.26 -11.47 0 3 0 43 144.17 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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