UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41242309
41242309

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Popular Name: (4R)-4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-isopropyl-pyrrolidin-2-one (4R)-4-(4-ethylsulfonylpiperazin…

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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) -0.17 3.09 -18.88 0 7 0 78 331.438 4 ↓

Analogs

41242306
41242306

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Popular Name: (4S)-4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-isopropyl-pyrrolidin-2-one (4S)-4-(4-ethylsulfonylpiperazin…

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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) -0.17 3.02 -23.36 0 7 0 78 331.438 4 ↓

Analogs

41243076
41243076

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Popular Name: (4R)-4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one (4R)-4-(4-ethylsulfonylpiperazin…

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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) -0.86 1.67 -18.98 0 8 0 87 347.437 6 ↓

Analogs

41243073
41243073

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Popular Name: (4S)-4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one (4S)-4-(4-ethylsulfonylpiperazin…

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) -0.86 1.62 -20.59 0 8 0 87 347.437 6 ↓

Parameters Provided:

ring.id = 180744
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 = 180744 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=180744&filter.purchasability=annotated

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