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

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aS,8aR)-3-phenyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine (3R,4aS,8aR)-3-phenyl-2,3,4,4a,5…

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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) 1.62 3.09 -3.34 1 3 0 30 219.284 1 ↓
Mid Mid (pH 6-8) 1.62 4.09 -33.61 2 3 1 35 220.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4aS,8aR)-3-phenyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine (3S,4aS,8aR)-3-phenyl-2,3,4,4a,5…

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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) 1.62 2.76 -3.43 1 3 0 30 219.284 1 ↓
Mid Mid (pH 6-8) 1.62 3.98 -38.53 2 3 1 35 220.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aS,8aS)-3-phenyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine (3R,4aS,8aS)-3-phenyl-2,3,4,4a,5…

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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) 1.62 2.92 -3.38 1 3 0 30 219.284 1 ↓
Mid Mid (pH 6-8) 1.62 3.99 -37.44 2 3 1 35 220.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4aS,8aS)-3-phenyl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b][1,4]oxazine (3S,4aS,8aS)-3-phenyl-2,3,4,4a,5…

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) 1.62 2.46 -4.18 1 3 0 30 219.284 1 ↓
Mid Mid (pH 6-8) 1.62 3.69 -42.18 2 3 1 35 220.292 1 ↓

Parameters Provided:

ring.id = 331440
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 = 331440 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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