UCSF

ZINC27086305

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 40 No

Popular Name: 5-chloro-N-[3-chloro-4-[(4-chloro-1-naphthyl)oxy]phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide 5-chloro-N-[3-chloro-4-[(4-chlor…

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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) 8.71 13.85 -45.68 1 6 -1 87 631.344 7 ↓
Lo Low (pH 4.5-6) 8.71 13.84 -13.68 2 6 0 85 632.352 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A3EZI9-1-V Hepatitis C Virus NS3 Protease/helicase (cluster #1 Of 3), Viral Viruses 6500 0.18 Binding ≤ 10μM
Q4U254-1-V Human Rhinovirus A Protease (cluster #1 Of 3), Viral Viruses 6500 0.18 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 6500 0.18 Binding ≤ 10μM
Q4U254_9ENTO Q4U254 Human Rhinovirus A Protease, 9ento 6500 0.18 Binding ≤ 10μM

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

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