UCSF

ZINC01680558

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Popular Name: ethyl 3-cyclohexyl-3-oxopropanoate ethyl 3-cyclohexyl-3-oxopropanoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15971-92-3 , [15971-92-3]

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) 1.97 8 -12.49 0 3 0 43 198.262 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP1044989A1; US3970754; US3996245; US4053610; US4091106; US4125623; US4308282 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.