UCSF

ZINC03997984

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 24 No

Popular Name: COc1ccc(c(c1)OC)/C=C/C(=O)c2ccc(cc2OC)OC COc1ccc(c(c1)OC)/C=C/C(=O)c2ccc(…

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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) 3.71 7.77 -15.63 0 5 0 54 328.364 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 6500 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 2100 0.33 Functional ≤ 10μM

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