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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-oxo-2-(1-piperidyl)ethyl]pyridin-4-one 5-[(4-fluorophenyl)methoxy]-2-me…

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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) 2.02 2.18 -27.48 0 5 0 52 358.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]pyridin-4-one 5-[(4-fluorophenyl)methoxy]-2-me…

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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) 2.26 2.55 -27.48 0 5 0 52 372.44 5 ↓

Analogs

12230905
12230905

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Popular Name: 5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-1-[2-oxo-2-(1-piperidyl)ethyl]pyridin-4-one 5-[(2-fluorophenyl)methoxy]-2-(h…

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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) 1.32 -0.37 -29.2 1 6 0 72 374.412 6 ↓

Analogs

12230890
12230890

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Popular Name: 5-[(2-fluorophenyl)methoxy]-2-(hydroxymethyl)-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]pyridin-4-one 5-[(2-fluorophenyl)methoxy]-2-(h…

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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) 1.56 0 -29.15 1 6 0 72 388.439 6 ↓

Analogs

12231044
12231044

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Popular Name: 5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-1-[2-oxo-2-(1-piperidyl)ethyl]pyridin-4-one 5-[(4-fluorophenyl)methoxy]-2-(h…

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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 -0.45 -31.82 1 6 0 72 374.412 6 ↓

Analogs

12231034
12231034

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Popular Name: 5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]pyridin-4-one 5-[(4-fluorophenyl)methoxy]-2-(h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.61 -0.08 -31.82 1 6 0 72 388.439 6 ↓

Parameters Provided:

ring.id = 96610
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 = 96610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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