UCSF

ZINC13208053

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 29 No

Popular Name: (4Z,5R)-4-[hydroxy-(p-tolyl)methylene]-5-(4-isopropylphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione (4Z,5R)-4-[hydroxy-(p-tolyl)meth…

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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) 4.32 9.76 -64.88 0 5 -1 70 392.475 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANXA2-1-E Annexin A2 (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.25 Binding ≤ 10μM
S10AA-1-E Protein S100-A10 (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANXA2_HUMAN P07355 Annexin A2, Human 8000 0.25 Binding ≤ 10μM
S10AA_HUMAN P60903 Protein S100-A10, Human 8000 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dissolution of Fibrin Clot

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