UCSF

ZINC05650522

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 29 Yes

Popular Name: 4-Phenyl-4-carbethoxy-1-(1'-phenylcyclohexyl)piperidine hydrobromide; Isonipecotic acid, 4-phenyl-1-(1-phenylcyclohexyl)-, ethyl ester, hydrobromide; LS-85146 4-Phenyl-4-carbethoxy-1-(1'-phen…

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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) 6.22 3.86 -32.09 1 3 1 30 392.563 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 780 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50594 Z50594 Mus Musculus 780 0.29 Functional ≤ 10μM

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