UCSF

ZINC01730256

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 17 No

Popular Name: Ammonium, nonamethylenebis(trimethyl-, diiodide; LS-18719; NSC 179892; Nonamethylenebis(trimethylammonium iodide) Ammonium, nonamethylenebis(trime…

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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) -3.34 6.92 -67.7 0 2 2 0 244.467 10 ↓

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 892 0.50 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 892 0.50 Functional ≤ 10μM

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