UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35225634
35225634
13860730
13860730

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Popular Name: 2-(2,4-dimethylphenoxy)-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide 2-(2,4-dimethylphenoxy)-N-(2-pyr…

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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) 3.37 9.27 -19.22 1 5 0 56 335.407 6 ↓

Analogs

13860726
13860726

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Popular Name: 2-(4-fluorophenoxy)-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide 2-(4-fluorophenoxy)-N-(2-pyrrol-…

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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) 2.71 8.09 -17.75 1 5 0 56 325.343 6 ↓

Analogs

35225634
35225634
13860721
13860721

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Popular Name: 2-(4-methylphenoxy)-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide 2-(4-methylphenoxy)-N-(2-pyrrol-…

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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) 2.99 8.65 -19.51 1 5 0 56 321.38 6 ↓

Parameters Provided:

ring.id = 602954
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 602954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=602954&filter.purchasability=annotated

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