UCSF

ZINC01034831

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 24 No

Popular Name: N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-2H-chromene-3-carboxamide N-{[2-(2-thienyl)-1,3-thiazol-4-…

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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) 3.67 -3.03 -12.16 1 4 0 51 354.456 4 ↓

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 10000 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q53I59_TRYCR Q53I59 Cyclic Nucleotide Specific Phosphodiesterase, Trycr 10000 0.29 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.