UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: pyrabactin pyrabactin

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50324-1-O Arabidopsis Thaliana (cluster #1 Of 2), Other Other 2200 0.36 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) 3.15 5.54 -11.82 1 4 0 59 377.263 4 ↓
Lo Low (pH 4.5-6) 3.15 5.58 -35.77 1 4 0 62 377.263 4 ↓

Analogs

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Popular Name: 4-ethoxy-N-(2-pyridinylmethyl)-1-naphthalenesulfonamide 4-ethoxy-N-(2-pyridinylmethyl)-1…

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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
Z50324-1-O Arabidopsis Thaliana (cluster #1 Of 2), Other Other 8400 0.30 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) 2.78 5.31 -13.3 1 5 0 68 342.42 6 ↓

Parameters Provided:

target.name = Z50324-1-O
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z50324-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50324-1-O&target.type=F10&filter.purchasability=purchasable

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