UCSF

ZINC58569511

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 34 No

Popular Name: [(5R,7R,8R,9R,10R,13S,17S)-17-[(3R,5R)-5-hydroxytetrahydrofuran-3-yl]-4,4,8,10,13-pentamethyl-3,16-d [(5R,7R,8R,9R,10R,13S,17S)-17-[(…

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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) 3.89 9.36 -17.97 1 6 0 90 470.606 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-4-O Plasmodium Falciparum (cluster #4 Of 22), Other Other 2590 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 2590 0.23 Functional ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.