UCSF

ZINC36350451

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 33 Yes

Popular Name: 1-benzyl-4-hydroxy-3-(6-methoxy-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-1,8-naphthyridin-2-one 1-benzyl-4-hydroxy-3-(6-methoxy-…

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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) 2.14 6.99 -130.73 0 9 -2 128 460.471 4 ↓

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 3900 0.23 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 3900 0.23 Binding ≤ 10μM

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