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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.57 7.97 -41.93 2 6 1 63 326.461 9 ↓
Hi High (pH 8-9.5) 2.57 5.96 -11.02 1 6 0 62 325.453 9 ↓

Analogs

47341667
47341667
47341668
47341668
30278817
30278817
30278820
30278820
30278828
30278828

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Popular Name: 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(1-methyl-4-piperidyl)acetamide 2-(cyclopropylmethylamino)-N-(2-…

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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) -0.24 4.66 -82.64 4 5 2 62 271.405 7 ↓
Hi High (pH 8-9.5) -0.24 3.3 -35.66 3 5 1 57 270.397 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-(2-dimethylaminoethyl)-N-(1-methyl-4-piperidyl)acetamide 2-(cyclopropylmethylamino)-N-(2-…

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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) 0.42 8.93 -175.41 4 5 3 46 299.483 8 ↓
Hi High (pH 8-9.5) 0.42 7.55 -92.42 3 5 2 41 298.475 8 ↓

Parameters Provided:

ring.id = 32170
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 = 32170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=32170&filter.purchasability=annotated

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