UCSF

ZINC03636019

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 No

Popular Name: 1,1-Dimethyl-4-phenylpiperidinium iodide; LS-116533; Piperidinium, 1,1-dimethyl-4-phenyl-, iodide 1,1-Dimethyl-4-phenylpiperidiniu…

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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) -1.16 3.51 -32.67 0 1 1 0 190.31 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104290-1-O Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other Other 600 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104290 Z104290 Neuronal Acetylcholine Receptor; Alpha4/beta2 600 0.62 Binding ≤ 1μM
Z104290 Z104290 Neuronal Acetylcholine Receptor; Alpha4/beta2 600 0.62 Binding ≤ 10μM

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