UCSF

ZINC01848463

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 24 Yes

Popular Name: 3-[(2,2-diphenylacetyl)amino]propyl-diethyl-ammonium 3-[(2,2-diphenylacetyl)amino]pro…

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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) 3.66 0.83 -40.82 2 3 1 33 325.476 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 4400 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 4400 0.31 Binding ≤ 10μM

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