UCSF

ZINC08452867

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2006 40 No

Popular Name: ethyl 4-(5-(4-tert-butylbenzylidene)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-3-yl)benzoate ethyl 4-(5-(4-tert-butylbenzylid…

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Other Names:

MFCD03080227

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) 8.78 4.78 -11.88 0 7 0 86 556.684 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6100 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLM2_PLAFA P46925 Plasmepsin 2, Plafa 4000 0.19 Binding ≤ 10μM

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