UCSF

ZINC00732524

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 23 Yes

Popular Name: ethyl 2-(2-{[(3,4-dichloroanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate ethyl 2-(2-{[(3,4-dichloroanilin…

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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) 4.14 -1.47 -13.11 2 6 0 80 374.249 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q53I59-1-E Cyclic Nucleotide Specific Phosphodiesterase (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q53I59_TRYCR Q53I59 Cyclic Nucleotide Specific Phosphodiesterase, Trycr 3600 0.33 Binding ≤ 10μM

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