UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-morpholinoethyl)-6,7-dihydro-5H-indol-4-one 1-(2-morpholinoethyl)-6,7-dihydr…

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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) 1.07 4.98 -12.09 0 4 0 34 248.326 3 ↓
Mid Mid (pH 6-8) 1.07 7.25 -58.09 1 4 1 36 249.334 3 ↓

Analogs

12747756
12747756
11843945
11843945

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Popular Name: 2,6,6-trimethyl-1-(2-morpholinoethyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(2-morpholinoe…

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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) 2.18 6.41 -11.51 0 4 0 34 290.407 3 ↓
Mid Mid (pH 6-8) 2.18 8.68 -58.39 1 4 1 36 291.415 3 ↓

Analogs

1719180
1719180

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Popular Name: 6,6-dimethyl-1-(2-morpholinoethyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(2-morpholinoethy…

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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) 1.96 5.9 -11.53 0 4 0 34 276.38 3 ↓
Mid Mid (pH 6-8) 1.96 8.16 -58.52 1 4 1 36 277.388 3 ↓

Parameters Provided:

ring.id = 569383
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 = 569383 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=569383&filter.purchasability=annotated

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