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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6S,7R,8S,8aS)-7-azido-2-benzyl-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-o (2S,4aS,6S,7R,8S,8aS)-7-azido-2-…

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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) 1.74 0.36 -13.5 1 8 0 107 321.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6R,7R,8S,8aS)-7-azido-2-benzyl-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-o (2S,4aS,6R,7R,8S,8aS)-7-azido-2-…

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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) 1.74 0.86 -5.38 1 8 0 107 321.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6S,7S,8S,8aS)-7-azido-2-benzyl-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-o (2S,4aS,6S,7S,8S,8aS)-7-azido-2-…

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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) 1.74 -0.08 -9.48 1 8 0 107 321.333 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6R,7S,8S,8aS)-7-azido-2-benzyl-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-o (2S,4aS,6R,7S,8S,8aS)-7-azido-2-…

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) 1.74 0.81 -8.07 1 8 0 107 321.333 4 ↓

Parameters Provided:

ring.id = 552693
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 = 552693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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