UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-methyl-2-(1-piperidyl)propyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[2-methyl-2-(1-piperidyl)propy…

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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) 4.06 10.42 -44.6 2 4 1 46 370.542 6 ↓

Analogs

4300662
4300662
32244489
32244489

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Popular Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[2-(1-piperidyl)ethyl]pyridine-3-carboxamide 2-(2,5-dimethoxyphenyl)sulfanyl-…

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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) 3.29 7.92 -50.42 2 6 1 65 402.54 8 ↓

Analogs

36674873
36674873
20031392
20031392

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Popular Name: 2-phenylsulfanyl-N-[2-(1-piperidyl)ethyl]pyridine-3-carboxamide 2-phenylsulfanyl-N-[2-(1-piperid…

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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) 3.25 9.28 -47.54 2 4 1 46 342.488 6 ↓

Analogs

36674873
36674873
26014379
26014379

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Popular Name: N-[2-(1-piperidyl)ethyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-[2-(1-piperidyl)ethyl]-2-(p-to…

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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) 3.70 9.96 -47.45 2 4 1 46 356.515 6 ↓

Parameters Provided:

ring.id = 304306
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 = 304306 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=304306&filter.purchasability=annotated

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