UCSF

ZINC13915654

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 11 Yes

Popular Name: 6-Fluoro-3-oxo-3,4-dihydropyrazine-2-carboxamide 6-Fluoro-3-oxo-3,4-dihydropyrazi…

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CAS Number: 259793-96-9

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) -0.52 -3.28 -40.6 2 5 -1 92 156.096 1 ↓
Mid Mid (pH 6-8) -0.98 -2.18 -20.54 3 5 0 89 157.104 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101821-3-O H2N2 Subtype (cluster #3 Of 3), Other Other 48 0.93 Functional ≤ 10μM
Z101852-1-O Influenza C Virus (cluster #1 Of 1), Other Other 44 0.94 Functional ≤ 10μM
Z50523-1-O Influenza B Virus (cluster #1 Of 1), Other Other 89 0.90 Functional ≤ 10μM
Z50525-1-O Tacaribe Virus (cluster #1 Of 1), Other Other 6000 0.66 Functional ≤ 10μM
Z50652-4-O Influenza A Virus (cluster #4 Of 4), Other Other 830 0.77 Functional ≤ 10μM
Z50654-1-O Junin Virus (cluster #1 Of 1), Other Other 5000 0.67 Functional ≤ 10μM
Z50655-1-O Pichinde Virus (cluster #1 Of 1), Other Other 6000 0.66 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101821 Z101821 H2N2 Subtype 48 0.93 Functional ≤ 10μM
Z50652 Z50652 Influenza A Virus 1270 0.75 Functional ≤ 10μM
Z50523 Z50523 Influenza B Virus 1400 0.75 Functional ≤ 10μM
Z101852 Z101852 Influenza C Virus 44 0.94 Functional ≤ 10μM
Z50654 Z50654 Junin Virus 5000 0.67 Functional ≤ 10μM
Z50655 Z50655 Pichinde Virus 6000 0.66 Functional ≤ 10μM
Z50525 Z50525 Tacaribe Virus 6000 0.66 Functional ≤ 10μM

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

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