UCSF
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Analogs

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Popular Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-3-isoxazolidin-2-yl-propanamide N-[[2-(2,6-dimethylphenoxy)-3-py…

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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) 2.82 -3.7 -11.29 1 6 0 64 355.438 7 ↓
Lo Low (pH 4.5-6) 2.82 -3.1 -35.87 2 6 1 65 356.446 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isoxazolidin-2-yl-N-[[2-(2-methylphenoxy)-3-pyridyl]methyl]propanamide 3-isoxazolidin-2-yl-N-[[2-(2-met…

Find On: PubMed — Wikipedia — Google

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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) 2.42 -4.01 -11.44 1 6 0 64 341.411 7 ↓
Lo Low (pH 4.5-6) 2.42 -3.42 -36.08 2 6 1 65 342.419 7 ↓

Parameters Provided:

ring.id = 53370
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 = 53370 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=53370&filter.purchasability=annotated

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