UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(3-hydroxyazetidin-1-yl)sulfonyl-1-methyl-indolin-2-one 5-(3-hydroxyazetidin-1-yl)sulfon…

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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) -0.14 -0.27 -15.11 1 6 0 78 282.321 2 ↓

Analogs

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Popular Name: 5-(3-hydroxyazetidin-1-yl)sulfonylindolin-2-one 5-(3-hydroxyazetidin-1-yl)sulfon…

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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) -0.39 -2.28 -14.91 2 6 0 87 268.294 2 ↓

Analogs

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Popular Name: (3R)-5-(3-hydroxyazetidin-1-yl)sulfonyl-3-methyl-indolin-2-one (3R)-5-(3-hydroxyazetidin-1-yl)s…

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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) -0.06 -1.68 -14.41 2 6 0 87 282.321 2 ↓

Analogs

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Popular Name: 6-chloro-5-(3-hydroxyazetidin-1-yl)sulfonyl-indolin-2-one 6-chloro-5-(3-hydroxyazetidin-1-…

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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) 0.22 -1.9 -14.15 2 6 0 87 302.739 2 ↓

Parameters Provided:

ring.id = 277249
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 = 277249 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=277249&filter.purchasability=annotated

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