UCSF

ZINC02580934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 4-(4'-Cyanophenyl)piperidine 4-(4'-Cyanophenyl)piperidine

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CAS Numbers: 1001547-78-9 , 149554-06-3 , 162997-34-4 , 58292 , [149554-06-3] , [162997-34-4]

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 6.29 -47.96 2 2 1 40 187.266 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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

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