UCSF

ZINC33849011

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 11 Yes

Popular Name: (1R,4E,8S)-9-azabicyclo[6.2.0]dec-4-en-10-one (1R,4E,8S)-9-azabicyclo[6.2.0]de…

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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) 1.58 0.91 -6.15 1 2 0 29 151.209 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-8-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #8 Of 9), Other Other 7300 0.65 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 6800 0.66 Functional ≤ 10μM

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