UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9147120
9147120
12153441
12153441
12153442
12153442
14952515
14952515
14952519
14952519

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Popular Name: quercitrin quercitrin

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Vendors

And 13 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-1-E Aldose Reductase (cluster #1 Of 5), Eukaryotic Eukaryotes 150 0.30 Binding ≤ 10μM
Z101909-1-O Microcystis Aeruginosa (cluster #1 Of 1), Other Other 9000 0.22 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) 0.64 -6.97 -18.35 7 11 0 190 448.38 3 ↓
Ref Reference (pH 7) 0.64 -7.57 -22.76 7 11 0 190 448.38 3 ↓
Hi High (pH 8-9.5) 0.64 -6.48 -60.62 6 11 -1 193 447.372 3 ↓

Parameters Provided:

annotation.name = Z101909
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 'Z101909' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=Z101909&filter.purchasability=purchasable

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