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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: 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 0.23 6.05 -57.35 2 7 1 77 320.417 3 ↓
Mid Mid (pH 6-8) 0.23 4.88 -12.34 1 7 0 72 319.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 0.23 6.04 -57.56 2 7 1 77 320.417 3 ↓
Mid Mid (pH 6-8) 0.23 4.9 -12.01 1 7 0 72 319.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 0.23 6.27 -57.36 2 7 1 77 320.417 3 ↓
Mid Mid (pH 6-8) 0.23 5.11 -13.1 1 7 0 72 319.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 0.23 6.28 -57.31 2 7 1 77 320.417 3 ↓
Mid Mid (pH 6-8) 0.23 5.13 -12.72 1 7 0 72 319.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydr 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 0.89 6.55 -57.49 2 7 1 77 348.471 4 ↓
Mid Mid (pH 6-8) 0.89 5.37 -12.78 1 7 0 72 347.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydr 1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 0.89 6.54 -57.62 2 7 1 77 348.471 4 ↓
Mid Mid (pH 6-8) 0.89 5.39 -12.46 1 7 0 72 347.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydr 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 0.89 6.77 -57.57 2 7 1 77 348.471 4 ↓
Mid Mid (pH 6-8) 0.89 5.6 -13.53 1 7 0 72 347.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydr 1-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 0.89 6.78 -57.38 2 7 1 77 348.471 4 ↓
Mid Mid (pH 6-8) 0.89 5.63 -13.07 1 7 0 72 347.463 4 ↓

Parameters Provided:

ring.id = 465568
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 = 465568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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