UCSF

ZINC02005703

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 22 Yes

Popular Name: BRN 3422742; Di-p-phenethylguanidine; Guanidine, N,N'-bis(4-ethoxyphenyl)-; LS-73276; N,N'-Bis(4-ethoxyphenyl)guanidine BRN 3422742; Di-p-phenethylguani…

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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) 3.81 8.77 -31.89 4 5 1 68 300.382 8 ↓

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 3280 0.35 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 3280 0.35 Binding ≤ 10μM

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