UCSF

ZINC35013176

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 Yes

Popular Name: (3E)-1-benzyl-3-(5-hydroxy-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-3-ylidene)-1,8-naphthyridine-2,4-d (3E)-1-benzyl-3-(5-hydroxy-1,1-d…

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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) 1.84 4.89 -130.55 1 9 -2 139 446.444 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 8370 0.22 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 54 0.32 Binding ≤ 1μM
Q8JXU8_9HEPC Q8JXU8 Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc 54 0.32 Binding ≤ 10μM

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