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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[3-(methoxymethyl)benzofuran-2- [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 2.55 6.29 -9.05 0 5 0 52 315.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[3-(methoxymethyl)benzofuran-2- [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 2.55 6.42 -9.31 0 5 0 52 315.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[3-(methoxymethyl)benzofuran-2- [(4aR,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 2.55 6.56 -9.06 0 5 0 52 315.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[3-(methoxymethyl)benzofuran-2- [(4aR,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 2.55 6.39 -8.89 0 5 0 52 315.369 3 ↓

Analogs

43423497
43423497
43423498
43423498
43423499
43423499
43423500
43423500

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-chlorobenzofuran-2-yl)methan [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 3.32 7.07 -6.3 0 4 0 43 305.761 1 ↓

Analogs

43423497
43423497
43423498
43423498
43423499
43423499
43423500
43423500

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-chlorobenzofuran-2-yl)methan [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 3.32 7.2 -6.42 0 4 0 43 305.761 1 ↓

Analogs

43423497
43423497
43423498
43423498
43423499
43423499
43423500
43423500

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-chlorobenzofuran-2-yl)methan [(4aR,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 3.32 7.33 -6.36 0 4 0 43 305.761 1 ↓

Analogs

43423497
43423497
43423498
43423498
43423499
43423499
43423500
43423500

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-chlorobenzofuran-2-yl)methan [(4aR,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 3.32 7.15 -6.24 0 4 0 43 305.761 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-fluoro-3-methyl-benzofuran-2 [(4aS,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 3.16 7.3 -7.75 0 4 0 43 303.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-fluoro-3-methyl-benzofuran-2 [(4aS,7aR)-3,4a,5,6,7,7a-hexahyd…

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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) 3.16 7.43 -7.96 0 4 0 43 303.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-fluoro-3-methyl-benzofuran-2 [(4aR,7aS)-3,4a,5,6,7,7a-hexahyd…

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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) 3.16 7.57 -7.93 0 4 0 43 303.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-fluoro-3-methyl-benzofuran-2 [(4aR,7aR)-3,4a,5,6,7,7a-hexahyd…

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) 3.16 7.39 -7.81 0 4 0 43 303.333 1 ↓

Parameters Provided:

ring.id = 53656
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 = 53656 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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