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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11816929
11816929
67649499
67649499
67649500
67649500

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2,1,3-benzoxadiazol-5-ylmethylamino)methyl]-3-hydroxy-1-(m-tolylmethyl)piperidin-2-one (3R)-3-[(2,1,3-benzoxadiazol-5-y…

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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) 2.44 -1.99 -57.67 3 7 1 96 381.456 6 ↓

Analogs

67649499
67649499
67649500
67649500
11816928
11816928

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(2,1,3-benzoxadiazol-5-ylmethylamino)methyl]-3-hydroxy-1-(m-tolylmethyl)piperidin-2-one (3S)-3-[(2,1,3-benzoxadiazol-5-y…

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) 2.44 -2 -57.93 3 7 1 96 381.456 6 ↓

Parameters Provided:

ring.id = 49626
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 = 49626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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