UCSF

ZINC02155429

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 31 No

Popular Name: 2,3,3-trichloroacrylic-acid-[4-[4-(2,3,3-trichloroacryloyl)oxyphenyl]sulfonylphenyl]-ester 2,3,3-trichloroacrylic-acid-[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) 5.03 -0.11 -9.51 0 6 0 86 565.041 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
R1A-2-V SARS Coronavirus 3C-like Proteinase (cluster #2 Of 2), Viral Viruses 900 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
R1A_CVHSA P0C6U8 SARS Coronavirus 3C-like Proteinase, Cvhsa 900 0.27 Binding ≤ 1μM
R1A_CVHSA P0C6U8 SARS Coronavirus 3C-like Proteinase, Cvhsa 900 0.27 Binding ≤ 10μM

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

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