UCSF

ZINC18117761

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 19 No

Popular Name: (3Z)-3-phenacylideneindolin-2-one (3Z)-3-phenacylideneindolin-2-one

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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) 2.68 8.55 -15.73 1 3 0 50 249.269 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P90584-2-E Protein Kinase Pfmrk (cluster #2 Of 2), Eukaryotic Eukaryotes 4000 0.40 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 4000 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P90584_PLAFA P90584 Protein Kinase Pfmrk, Plafa 4000 0.40 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 4000 0.40 Functional ≤ 10μM

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