UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4245717
4245717
6603353
6603353

Draw Identity 99% 90% 80% 70%

Popular Name: Ribavirin Ribavirin

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100497-1-O Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other Other 7000 0.42 Functional ≤ 10μM
Z100811-1-O Influenza A Virus (H5N1) (cluster #1 Of 1), Other Other 9400 0.41 Functional ≤ 10μM
Z101822-1-O H3N2 Subtype (cluster #1 Of 2), Other Other 9000 0.42 Functional ≤ 10μM
Z50142-1-O Influenza A Virus (A/PR/8/34(H1N1)) (cluster #1 Of 2), Other Other 9700 0.41 Functional ≤ 10μM
Z50523-1-O Influenza B Virus (cluster #1 Of 1), Other Other 9000 0.42 Functional ≤ 10μM
Z50525-1-O Tacaribe Virus (cluster #1 Of 1), Other Other 10000 0.41 Functional ≤ 10μM
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 8300 0.42 Functional ≤ 10μM
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 5), Other Other 10000 0.41 Functional ≤ 10μM
Z50641-1-O West Nile Virus (cluster #1 Of 2), Other Other 1100 0.49 Functional ≤ 10μM
Z50651-1-O Vesicular Stomatitis Virus (cluster #1 Of 2), Other Other 10000 0.41 Functional ≤ 10μM
Z50652-1-O Influenza A Virus (cluster #1 Of 4), Other Other 9800 0.41 Functional ≤ 10μM
Z50678-2-O Respiratory Syncytial Virus (cluster #2 Of 2), Other Other 7000 0.42 Functional ≤ 10μM
Z80040-1-O BHK-21 (Kidney Cells) (cluster #1 Of 1), Other Other 1100 0.49 Functional ≤ 10μM
Z80249-1-O MDCK (Kidney Cells) (cluster #1 Of 2), Other Other 4900 0.44 Functional ≤ 10μM
Z80285-1-O MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #1 Of 4), Other Other 5700 0.43 Functional ≤ 10μM
Z80823-1-O E6SM (Embryonic Skin-muscle Fibroblast Cells) (cluster #1 Of 1), Other Other 5 0.68 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 1500 0.48 Functional ≤ 10μM

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) -2.77 -8.13 -17.41 5 9 0 144 244.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Vendors

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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

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 ↓

Parameters Provided:

annotation.name = Z50525
anotation.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z50525' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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