UCSF

ZINC13560830

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 Yes

Popular Name: N-(4-hydroxyphenyl)-1-methyl-cyclopropane-1-carboxamide N-(4-hydroxyphenyl)-1-methyl-cyc…

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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) 1.46 2.71 -9.49 2 3 0 49 191.23 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A3EZI9-2-V Hepatitis C Virus NS3 Protease/helicase (cluster #2 Of 3), Viral Viruses 8400 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A3EZI9_9HEPC A3EZI9 Hepatitis C Virus NS3 Protease/helicase, 9hepc 8400 0.51 Binding ≤ 10μM

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