UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41690187
41690187
41690190
41690190
34670936
34670936
34670948
34670948
34670952
34670952

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Popular Name: (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-[2-(4-fluorophenoxy)ethoxy]propan-2-ol (2S)-1-[(2S,6R)-2,6-dimethylmorp…

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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) 2.01 2.9 -9.18 1 5 0 51 327.396 8 ↓
Mid Mid (pH 6-8) 2.01 5.21 -41.79 2 5 1 52 328.404 8 ↓

Analogs

41690190
41690190
41690184
41690184
34670936
34670936
34670948
34670948
34670952
34670952

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[2-(4-fluorophenoxy)ethoxy]propan-2-ol (2S)-1-[(2S,6S)-2,6-dimethylmorp…

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Activity (Go SEA)

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) 2.01 3.18 -8.86 1 5 0 51 327.396 8 ↓
Mid Mid (pH 6-8) 2.01 5.15 -41.44 2 5 1 52 328.404 8 ↓

Analogs

41690184
41690184
41690187
41690187
34670936
34670936
34670948
34670948
34670952
34670952

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[2-(4-fluorophenoxy)ethoxy]propan-2-ol (2S)-1-[(2R,6R)-2,6-dimethylmorp…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.01 3.18 -8.74 1 5 0 51 327.396 8 ↓
Mid Mid (pH 6-8) 2.01 5.17 -41.27 2 5 1 52 328.404 8 ↓

Parameters Provided:

ring.id = 569832
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 = 569832 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=569832&filter.purchasability=annotated

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