UCSF

ZINC01047806

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 30 Yes

Popular Name: N1-(3,5-dichlorophenyl)-2-{[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]thio}acetamide N1-(3,5-dichlorophenyl)-2-{[4-(2…

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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) 5.98 10.98 -12.94 1 5 0 68 473.41 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
R1A-1-V SARS Coronavirus 3C-like Proteinase (cluster #1 Of 2), Viral Viruses 3000 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
R1A_CVHSA P0C6U8 SARS Coronavirus 3C-like Proteinase, Cvhsa 3000 0.26 Binding ≤ 10μM

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

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