UCSF

ZINC38800673

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 32 No

Popular Name: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl- (1R,3aS,5aR,5bR,7aR,11aR,11bR,13…

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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) 6.98 11.31 -5.68 1 2 0 37 440.712 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-7-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #7 Of 9), Other Other 3000 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 3000 0.24 Functional ≤ 10μM

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