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

Analogs

16991721
16991721
4723006
4723006

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-2-azaspiro[4.5]decane-1,3-dione 2-(4-aminocyclohexyl)-2-azaspiro…

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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) 0.90 5.17 -46.06 3 4 1 65 265.377 1 ↓

Analogs

16991721
16991721
4723006
4723006

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(methylamino)cyclohexyl]-3-azaspiro[4.5]decane-2,4-dione 3-[4-(methylamino)cyclohexyl]-3-…

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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) 1.81 6.43 -37.04 2 4 1 54 279.404 2 ↓

Analogs

16991721
16991721
4723006
4723006

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(ethylamino)cyclohexyl]-3-azaspiro[4.5]decane-2,4-dione 3-[4-(ethylamino)cyclohexyl]-3-a…

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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) 2.19 7.71 -39.67 2 4 1 54 293.431 3 ↓

Parameters Provided:

ring.id = 123785
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 = 123785 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=123785&filter.purchasability=annotated

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