UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3332461
3332461

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Popular Name: N-cyclooctyl-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-cyclooctyl-2-(p-tolylsulfanyl)…

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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) 5.68 10.32 -11.92 1 3 0 42 354.519 4 ↓

Analogs

6784312
6784312
3332461
3332461

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Popular Name: N-cyclooctyl-2-phenylsulfanyl-pyridine-3-carboxamide N-cyclooctyl-2-phenylsulfanyl-py…

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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) 5.23 9.64 -11.94 1 3 0 42 340.492 4 ↓

Analogs

4300662
4300662
12899410
12899410

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Popular Name: N-cyclooctyl-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide N-cyclooctyl-2-(2,5-dimethoxyphe…

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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) 5.27 8.28 -15.74 1 5 0 60 400.544 6 ↓

Parameters Provided:

ring.id = 602574
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 = 602574 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=602574&filter.purchasability=annotated

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