UCSF

ZINC36350415

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 32 Yes

Popular Name: 1-benzyl-3-(7-bromo-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one 1-benzyl-3-(7-bromo-1,1-dioxo-4H…

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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) 2.90 8.3 -122.91 0 8 -2 119 509.341 3 ↓
Lo Low (pH 4.5-6) 2.90 8.61 -51.22 1 8 -1 116 510.349 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8-2-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #2 Of 2), Viral Viruses 756 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 756 0.27 Binding ≤ 1μM
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 756 0.27 Binding ≤ 10μM

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