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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]-[(3S)-3-methylpyrrolidin-3-yl]m [(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) 0.92 3.33 -43.37 2 4 1 46 239.339 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]-[(3R)-3-methylpyrrolidin-3-yl]m [(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) 0.92 3.33 -42.81 2 4 1 46 239.339 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]-[(3S)-3-methylpyrrolidin-3-yl]m [(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) 0.92 3.41 -47.43 2 4 1 46 239.339 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]-[(3R)-3-methylpyrrolidin-3-yl]m [(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) 0.92 3.51 -42.98 2 4 1 46 239.339 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]-[(3S)-3-ethylpyrrolidin-3-yl]me [(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) 1.26 3.84 -48.16 2 4 1 46 253.366 2 ↓

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]-[(3R)-3-ethylpyrrolidin-3-yl]me [(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) 1.26 3.8 -46.89 2 4 1 46 253.366 2 ↓

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]-[(3S)-3-ethylpyrrolidin-3-yl]me [(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) 1.26 3.97 -49.13 2 4 1 46 253.366 2 ↓

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]-[(3R)-3-ethylpyrrolidin-3-yl]me [(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) 1.26 3.98 -46.88 2 4 1 46 253.366 2 ↓

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]-[(3S)-3-propylpyrrolidin-3-yl]m [(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) 1.82 4.62 -48.54 2 4 1 46 267.393 3 ↓

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]-[(3R)-3-propylpyrrolidin-3-yl]m [(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) 1.82 4.57 -47.16 2 4 1 46 267.393 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]-[(3S)-3-propylpyrrolidin-3-yl]m [(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) 1.82 4.73 -49.45 2 4 1 46 267.393 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]-[(3R)-3-propylpyrrolidin-3-yl]m [(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) 1.82 4.74 -47.19 2 4 1 46 267.393 3 ↓

Parameters Provided:

ring.id = 305002
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 = 305002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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