UCSF

ZINC38158023

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 25 No

Popular Name: (N-Octadecyl)triethylammonium iodide; 1-Octadecanaminium, N,N,N-triethyl-, iodide; Ammonium, (octadecyl)triethyl-, iodide; Ammonium, octadecyltriethyl-, iodide; Ammonium, triethyloctadecyl-, iodide; LS-18723; NSC 12141; Triethyloctadecylammonium iodide; n (N-Octadecyl)triethylammonium io…

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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) 6.00 18.95 -26.45 0 1 1 0 354.687 20 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0475511A3 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-6-O Plasmodium Falciparum (cluster #6 Of 22), Other Other 270 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 270 0.37 Functional ≤ 10μM

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