UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-adamantylmethyl)-2-(4-methoxyphenyl)sulfanyl-pyridine-3-carboxamide N-(1-adamantylmethyl)-2-(4-metho…

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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) 5.31 -1.17 -11.33 1 4 0 51 408.567 6 ↓

Analogs

32906091
32906091
3415748
3415748
3438935
3438935

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Popular Name: N-(1-adamantylmethyl)-2-phenylsulfanyl-pyridine-3-carboxamide N-(1-adamantylmethyl)-2-phenylsu…

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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) 5.25 11.35 -11.28 1 3 0 42 378.541 5 ↓

Analogs

8150718
8150718
32906091
32906091
3415748
3415748
22972164
22972164

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Popular Name: N-(1-adamantylmethyl)-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-(1-adamantylmethyl)-2-(p-tolyl…

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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) 5.70 12.02 -11.27 1 3 0 42 392.568 5 ↓

Parameters Provided:

ring.id = 246047
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 = 246047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=246047&filter.purchasability=annotated

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