UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

47834044
47834044
47834048
47834048
47834058
47834058
47834060
47834060

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Popular Name: N-(4-methylcyclohexyl)-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-(4-methylcyclohexyl)-2-[(1-oxi…

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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) 1.00 -0.88 -31.08 1 4 0 54 280.393 4 ↓

Analogs

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Popular Name: (2R)-N-(4-methylcyclohexyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide (2R)-N-(4-methylcyclohexyl)-2-(1…

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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) 1.37 7.73 -20.71 1 4 0 55 294.42 4 ↓

Analogs

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Popular Name: (2S)-N-(4-methylcyclohexyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide (2S)-N-(4-methylcyclohexyl)-2-(1…

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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) 1.37 7.74 -20.32 1 4 0 55 294.42 4 ↓

Parameters Provided:

ring.id = 2639
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 = 2639 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2639&filter.purchasability=annotated

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