UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41933553
41933553
41933554
41933554

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Popular Name: (3R,7aS)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahyd (3R,7aS)-N-[2-[(2S,6R)-2,6-dimet…

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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) 1.38 4.54 -14.79 1 6 0 62 369.531 4 ↓
Mid Mid (pH 6-8) 1.38 6.47 -46.83 2 6 1 63 370.539 4 ↓

Analogs

41933554
41933554
41933552
41933552

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahyd (3R,7aS)-N-[2-[(2S,6S)-2,6-dimet…

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) 1.38 4.81 -14.71 1 6 0 62 369.531 4 ↓
Mid Mid (pH 6-8) 1.38 6.44 -46.17 2 6 1 63 370.539 4 ↓

Analogs

41933552
41933552
41933553
41933553

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]-7a-methyl-5-oxo-2,3,6,7-tetrahyd (3R,7aS)-N-[2-[(2R,6R)-2,6-dimet…

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) 1.38 4.8 -14.8 1 6 0 62 369.531 4 ↓
Mid Mid (pH 6-8) 1.38 6.45 -46.06 2 6 1 63 370.539 4 ↓

Parameters Provided:

ring.id = 302393
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 = 302393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=302393&filter.purchasability=annotated

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