UCSF

ZINC40464616

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 22 Yes

Popular Name: 5-(4-chlorophenyl)-N-(1-methyl-4-piperidyl)furan-2-carboxamide 5-(4-chlorophenyl)-N-(1-methyl-4…

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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) 3.41 8.42 -40.86 2 4 1 47 319.812 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCNAA-1-E Sodium Channel Protein Type X Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCNAA_MOUSE Q6QIY3 Sodium Channel Protein Type 10 Subunit Alpha, Mouse 1900 0.36 Binding ≤ 10μM

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

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