UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-(morpholinomethyl)-1-piperidyl]ethanone 2-(2-isopropyl-5-methyl-phenoxy)…

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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) 3.41 9.4 -12.92 0 5 0 42 374.525 6 ↓
Mid Mid (pH 6-8) 3.41 11.41 -50.01 1 5 1 43 375.533 6 ↓

Analogs

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Popular Name: 1-[4-(morpholinomethyl)-1-piperidyl]-2-phenoxy-ethanone 1-[4-(morpholinomethyl)-1-piperi…

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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) 1.99 6.78 -13.45 0 5 0 42 318.417 5 ↓
Mid Mid (pH 6-8) 1.99 8.77 -50.74 1 5 1 43 319.425 5 ↓

Analogs

44503747
44503747
32228795
32228795

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Popular Name: 2-(4-chlorophenoxy)-1-[4-(morpholinomethyl)-1-piperidyl]ethanone 2-(4-chlorophenoxy)-1-[4-(morpho…

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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) 2.67 7.3 -12.93 0 5 0 42 352.862 5 ↓
Mid Mid (pH 6-8) 2.67 9.29 -50.83 1 5 1 43 353.87 5 ↓

Parameters Provided:

ring.id = 19888
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 = 19888 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=19888&filter.purchasability=annotated

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