UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4213983
4213983
6093287
6093287

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Popular Name: Levamisole hydrochloride Levamisole hydrochloride

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100715-1-O Nippostrongylus Brasiliensis (cluster #1 Of 2), Other Other 210 0.67 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) 2.08 6.66 -26.75 1 2 1 17 205.306 1 ↓
Hi High (pH 8-9.5) 2.08 5.66 -8.22 0 2 0 16 204.298 1 ↓

Analogs

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Popular Name: Albendazole Albendazole

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100715-2-O Nippostrongylus Brasiliensis (cluster #2 Of 2), Other Other 340 0.50 Functional ≤ 10μM
Z50467-2-O Trichomonas Vaginalis (cluster #2 Of 3), Other Other 1592 0.45 Functional ≤ 10μM
Z50468-2-O Giardia Intestinalis (cluster #2 Of 4), Other Other 37 0.58 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) 2.92 5.45 -8.46 2 5 0 70 265.338 4 ↓
Ref Reference (pH 7) 2.92 5.45 -9.77 2 5 0 70 265.338 4 ↓

Analogs

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Popular Name: Fenbendazole Fenbendazole

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100715-2-O Nippostrongylus Brasiliensis (cluster #2 Of 2), Other Other 120 0.46 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) 3.58 6.9 -9.98 2 5 0 70 299.355 3 ↓
Ref Reference (pH 7) 3.58 6.9 -8.91 2 5 0 70 299.355 3 ↓

Parameters Provided:

annotation.name = Z100715
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 'Z100715' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=Z100715&filter.purchasability=purchasable

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