UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-1-methyl-4-[4-[2-(p-tolyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one (4R)-1-methyl-4-[4-[2-(p-tolyl)a…

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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) 0.98 7.46 -17.44 0 6 0 61 343.427 3 ↓

Analogs

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Popular Name: (4S)-1-methyl-4-[4-[2-(p-tolyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one (4S)-1-methyl-4-[4-[2-(p-tolyl)a…

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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) 0.98 7.39 -19.83 0 6 0 61 343.427 3 ↓

Analogs

41242157
41242157

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Popular Name: (4R)-1-isopropyl-4-[4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one (4R)-1-isopropyl-4-[4-[2-(4-meth…

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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) 1.26 7.69 -18.32 0 7 0 70 387.48 5 ↓

Analogs

41242154
41242154

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Popular Name: (4S)-1-isopropyl-4-[4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one (4S)-1-isopropyl-4-[4-[2-(4-meth…

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) 1.26 7.67 -21.34 0 7 0 70 387.48 5 ↓

Parameters Provided:

ring.id = 406975
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 = 406975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=406975&filter.purchasability=annotated

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