UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12031056
12031056
39686978
39686978
39686979
39686979
39686980
39686980
39686981
39686981

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-[(2S)-5-oxopyrrolidin-2-yl]acetamide N-[[1-[2-(2-fluorophenyl)ethyl]-…

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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) 3.38 -0.25 -47.38 2 5 1 54 376.496 7 ↓

Analogs

39686978
39686978
39686979
39686979
39686980
39686980
39686981
39686981
42165534
42165534

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide N-[[1-[2-(2-fluorophenyl)ethyl]-…

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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) 3.38 -0.21 -51.21 2 5 1 54 376.496 7 ↓

Analogs

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Popular Name: N-[[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-[(2S)-5-oxopyrrolidin-2-yl]acetamide N-[[1-[2-(4-methoxyphenyl)ethyl]…

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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) 3.32 8.89 -52.61 2 6 1 63 388.532 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-methoxyphenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide N-[[1-[2-(4-methoxyphenyl)ethyl]…

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) 3.32 8.87 -55.71 2 6 1 63 388.532 8 ↓

Parameters Provided:

ring.id = 80643
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 = 80643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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