UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (Z)-4-[1-benzyl-4-[(4-chlorophenyl)methyl]-4-piperidyl]-2-hydroxy-4-oxo-but-2-enoic (Z)-4-[1-benzyl-4-[(4-chlorophen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
POLG-3-V Genome Polyprotein (cluster #3 Of 3), Viral Viruses 430 0.31 Binding ≤ 10μM
Z50522-1-O Unidentified Influenza Virus (cluster #1 Of 1), Other Other 1500 0.28 Binding ≤ 10μM
Z50522-1-O Unidentified Influenza Virus (cluster #1 Of 1), Other Other 2100 0.27 Binding ≤ 10μM
Z50522-2-O Unidentified Influenza Virus (cluster #2 Of 2), Other Other 350 0.31 Functional ≤ 10μM
Z50522-2-O Unidentified Influenza Virus (cluster #2 Of 2), Other Other 350 0.31 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) 2.55 15.31 -73.76 1 5 0 79 413.901 8 ↓

Analogs

34022665
34022665
34031444
34031444
40709762
40709762

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Popular Name: Peramivir Peramivir

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NRAM-1-V Neuraminidase (cluster #1 Of 2), Viral Viruses 5 0.51 Binding ≤ 10μM
Z50522-1-O Unidentified Influenza Virus (cluster #1 Of 2), Other Other 8400 0.31 Functional ≤ 10μM
Z50523-1-O Influenza B Virus (cluster #1 Of 1), Other Other 3 0.52 Functional ≤ 10μM
Z50652-1-O Influenza A Virus (cluster #1 Of 4), Other Other 98 0.43 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) -0.10 2.44 -59.87 7 8 0 153 328.413 8 ↓
Hi High (pH 8-9.5) 4.77 23.55 -33.73 0 5 1 56 588.683 9 ↓

Analogs

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Popular Name: N-[(3S)-3-acetyl-1-hydroxy-2-oxo-indolin-6-yl]naphthalene-2-carboxamide N-[(3S)-3-acetyl-1-hydroxy-2-oxo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50522-2-O Unidentified Influenza Virus (cluster #2 Of 2), Other Other 9000 0.26 Functional ≤ 10μM
Z50522-2-O Unidentified Influenza Virus (cluster #2 Of 2), Other Other 9000 0.26 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) 3.69 7.03 -145.11 1 6 -2 97 358.353 3 ↓
Mid Mid (pH 6-8) 3.69 5.99 -47.93 2 6 -1 94 359.361 3 ↓

Parameters Provided:

annotation.name = Z50522
anotation.type = B10
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 'Z50522' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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