UCSF

ZINC01659854

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 27 No

Popular Name: Benzo(c)phenanthridinium, 5-methyl-2,3,8,9-tetramethoxy-, iodide, hydrate; LS-38842; O-Methylfagaronine iodide hydrate Benzo(c)phenanthridinium, 5-meth…

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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) 0.31 2.72 -36.82 0 5 1 40 364.421 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-9-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other Other 70 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 300 0.34 Functional ≤ 10μM

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