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Popular Name: (2R)-1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-(1,3-dioxolan-2-yl)piperidine (2R)-1-[(6-chloro-4H-1,3-benzodi…

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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) 2.83 7.5 -30.41 1 5 1 41 340.827 3 ↓
Mid Mid (pH 6-8) 2.83 5.32 -5.9 0 5 0 40 339.819 3 ↓

Analogs

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Popular Name: (2S)-1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-(1,3-dioxolan-2-yl)piperidine (2S)-1-[(6-chloro-4H-1,3-benzodi…

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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) 2.83 7.45 -29.27 1 5 1 41 340.827 3 ↓
Mid Mid (pH 6-8) 2.83 5.31 -5.68 0 5 0 40 339.819 3 ↓

Parameters Provided:

ring.id = 363930
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 = 363930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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