UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38729911
38729911
38946885
38946885
38946886
38946886

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Popular Name: [4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone [4-(5-bromopyridine-3-carbonyl)p…

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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) 2.21 9.24 -14.4 0 5 0 54 432.293 3 ↓

Analogs

38946885
38946885
38946886
38946886
38729908
38729908

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Popular Name: [4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]methanone [4-(5-bromopyridine-3-carbonyl)p…

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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) 2.21 9.33 -13.67 0 5 0 54 432.293 3 ↓

Analogs

38730425
38730425
34465659
34465659

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Popular Name: [4-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-pyridyl)methanone [4-[(1R,2S)-2-(4-fluorophenyl)cy…

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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) 1.25 8.61 -14.65 0 5 0 54 353.397 3 ↓

Analogs

34465659
34465659
38730423
38730423

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-(3-pyridyl)methanone [4-[(1R,2R)-2-(4-fluorophenyl)cy…

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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) 1.25 8.7 -14.45 0 5 0 54 353.397 3 ↓

Parameters Provided:

ring.id = 464562
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 = 464562 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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