UCSF

ZINC66055236

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 15 Yes

Popular Name: 4-OXO-1-(4-PYRIDINYL)CYCLOHEXANECARBONITRILE 4-OXO-1-(4-PYRIDINYL)CYCLOHEXANE…

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CAS Number: 1240620-56-7

Other Names:

MFCD16988822

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) 0.59 5.32 -10.59 0 3 0 54 200.241 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

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Rings

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

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