UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11843820
11843820

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Popular Name: 1-[(3R)-3-(4-tert-butylbenzoyl)-1-piperidyl]-2-(5-hydroxyoxadiazol-3-ium-3-yl)ethanone 1-[(3R)-3-(4-tert-butylbenzoyl)-…

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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) -0.90 2.24 -46.49 1 7 1 88 372.445 5 ↓

Analogs

11843819
11843819

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Popular Name: 1-[(3S)-3-(4-tert-butylbenzoyl)-1-piperidyl]-2-(5-hydroxyoxadiazol-3-ium-3-yl)ethanone 1-[(3S)-3-(4-tert-butylbenzoyl)-…

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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) -0.90 2.24 -49.68 1 7 1 88 372.445 5 ↓

Analogs

12210495
12210495

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]-1-piperidyl]ethanone 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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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) -1.71 3.25 -47.09 1 7 1 88 384.334 5 ↓

Analogs

12210488
12210488

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Popular Name: 2-(5-hydroxyoxadiazol-3-ium-3-yl)-1-[(3S)-3-[4-(trifluoromethyl)benzoyl]-1-piperidyl]ethanone 2-(5-hydroxyoxadiazol-3-ium-3-yl…

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) -1.71 3.25 -50.46 1 7 1 88 384.334 5 ↓

Parameters Provided:

ring.id = 60759
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 = 60759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=60759&filter.purchasability=annotated

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