UCSF

ZINC14725153

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2008 23 Yes

Popular Name: 1-hydroxy-2,3,4-trimethoxy-10-methyl-acridin-9-one 1-hydroxy-2,3,4-trimethoxy-10-me…

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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) 2.40 6.03 -12.87 1 6 0 70 315.325 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 8250 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 8250 0.31 Functional ≤ 10μM

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