UCSF

ZINC02037845

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 9 Yes

Popular Name: 2-Ethylcyclohexanone 2-Ethylcyclohexanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4423-94-3 , [4423-94-3]

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) 2.14 1.38 -3.91 0 1 0 17 126.199 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0862558A1; EP0915853A1; EP0931072A1; EP0944623A2; EP0998472A1; US6054412; US6054413; WO1997015559A1; WO1998005649A1; WO1998012182A1; WO1998027090A2; WO1998038169A1; WO1999006394A1; WO1999055702A1 IBM Patent Data

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

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