UCSF

ZINC45074623

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 12 Yes

Popular Name: 2-Isobutyrylcyclohexanone 2-Isobutyrylcyclohexanone

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CAS Numbers: 2-Isobutyrylcyclohexanone , 39207-65-3 , [39207-65-3]

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) 1.56 5.89 -8.66 0 2 0 34 168.236 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 96% Fluorochem

Activity (Go SEA)

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