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

Analogs

38583074
38583074
43701844
43701844
59810896
59810896
59810901
59810901
59810905
59810905

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,3S,4S,5R)-3-hydroxy-2-(3-morpholinopropylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] [(1S,2S,3S,4S,5R)-3-hydroxy-2-(3…

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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) 0.57 0.69 -55.72 3 9 1 111 443.542 8 ↓
Mid Mid (pH 6-8) 0.57 2.96 -125.96 4 9 2 112 444.55 8 ↓
Mid Mid (pH 6-8) 0.57 1.79 -45.94 3 9 1 108 443.542 8 ↓

Analogs

43701844
43701844
59810896
59810896
59810901
59810901
59810905
59810905
38583072
38583072

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,3S,4R,5R)-3-hydroxy-2-(3-morpholinopropylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] [(1S,2S,3S,4R,5R)-3-hydroxy-2-(3…

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) 0.57 1.04 -49.23 3 9 1 111 443.542 8 ↓
Mid Mid (pH 6-8) 0.57 3.31 -117.96 4 9 2 112 444.55 8 ↓
Mid Mid (pH 6-8) 0.57 2.36 -46.3 3 9 1 108 443.542 8 ↓

Parameters Provided:

ring.id = 593122
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 = 593122 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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