UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41242163
41242163
39695456
39695456
39695457
39695457

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Popular Name: (4R)-1-isopropyl-4-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one (4R)-1-isopropyl-4-[4-(3-phenylp…

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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) 1.72 9.2 -15.13 0 6 0 61 371.481 5 ↓

Analogs

39695456
39695456
39695457
39695457
41242160
41242160

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Popular Name: (4S)-1-isopropyl-4-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one (4S)-1-isopropyl-4-[4-(3-phenylp…

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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) 1.72 9.18 -18.27 0 6 0 61 371.481 5 ↓

Analogs

41242969
41242969

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Popular Name: (4R)-1-(2-methoxyethyl)-4-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one (4R)-1-(2-methoxyethyl)-4-[4-(3-…

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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) 1.04 7.78 -15.05 0 7 0 70 387.48 7 ↓

Analogs

41242966
41242966

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Popular Name: (4S)-1-(2-methoxyethyl)-4-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one (4S)-1-(2-methoxyethyl)-4-[4-(3-…

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) 1.04 7.73 -16.34 0 7 0 70 387.48 7 ↓

Parameters Provided:

ring.id = 528313
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 = 528313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=528313&filter.purchasability=annotated

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