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Popular Name: N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-3,5-dimethyl-benzenesulfonamide N-[(1R,5S)-8-azabicyclo[3.2.1]oc…

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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) 2.38 4.74 -47.72 3 4 1 63 295.428 3 ↓

Analogs

48314156
48314156
48666246
48666246
49404371
49404371
49404374
49404374
49404422
49404422

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Popular Name: N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N,3,5-trimethyl-benzenesulfonamide N-[(1R,5S)-8-azabicyclo[3.2.1]oc…

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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) 2.63 5.41 -46.8 2 4 1 54 309.455 3 ↓

Parameters Provided:

ring.id = 564626
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 = 564626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=564626&filter.purchasability=annotated

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