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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: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-thienylmethyl)ethanamine 2-[(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) 2.66 5.27 -43.22 2 3 1 29 281.445 5 ↓
Mid Mid (pH 6-8) 2.66 3.92 -3.51 1 3 0 24 280.437 5 ↓
Lo Low (pH 4.5-6) 2.66 6.12 -35.76 2 3 1 26 281.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-thienylmethyl)ethanamine 2-[(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) 2.66 5.2 -42.76 2 3 1 29 281.445 5 ↓
Mid Mid (pH 6-8) 2.66 3.86 -3.21 1 3 0 24 280.437 5 ↓
Lo Low (pH 4.5-6) 2.66 6.03 -37.23 2 3 1 26 281.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(3-methyl-2-thienyl)methyl]etha 2-[(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) 3.04 5.85 -43.16 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 3.04 4.49 -3.62 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 3.04 8.06 -124.36 3 3 2 30 296.48 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(3-methyl-2-thienyl)methyl]etha 2-[(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) 3.04 5.78 -42.79 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 3.04 4.42 -3.4 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 3.04 7.97 -125.79 3 3 2 30 296.48 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(5-chloro-2-thienyl)methyl]etha 2-[(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) 3.46 5.9 -47.57 2 3 1 29 315.89 5 ↓
Mid Mid (pH 6-8) 3.46 4.55 -3.36 1 3 0 24 314.882 5 ↓
Lo Low (pH 4.5-6) 3.46 6.75 -37.62 2 3 1 26 315.89 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(5-chloro-2-thienyl)methyl]etha 2-[(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) 3.46 5.82 -47.14 2 3 1 29 315.89 5 ↓
Mid Mid (pH 6-8) 3.46 4.48 -3.12 1 3 0 24 314.882 5 ↓
Lo Low (pH 4.5-6) 3.46 6.65 -39.05 2 3 1 26 315.89 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(5-methyl-2-thienyl)methyl]etha 2-[(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) 2.88 6.11 -43.11 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 2.88 4.76 -3.75 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 2.88 6.95 -35.85 2 3 1 26 295.472 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(5-methyl-2-thienyl)methyl]etha 2-[(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) 2.88 6.03 -42.66 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 2.88 4.69 -3.49 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 2.88 6.86 -37.24 2 3 1 26 295.472 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(4-bromo-2-thienyl)methyl]ethan 2-[(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) 3.40 5.89 -46.36 2 3 1 29 360.341 5 ↓
Mid Mid (pH 6-8) 3.40 4.54 -3.19 1 3 0 24 359.333 5 ↓
Lo Low (pH 4.5-6) 3.40 6.73 -36.79 2 3 1 26 360.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[(4-bromo-2-thienyl)methyl]ethan 2-[(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) 3.40 5.81 -45.9 2 3 1 29 360.341 5 ↓
Mid Mid (pH 6-8) 3.40 4.47 -2.9 1 3 0 24 359.333 5 ↓
Lo Low (pH 4.5-6) 3.40 6.64 -38.14 2 3 1 26 360.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.22 5.79 -40.17 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 3.22 4.58 -3.05 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 3.22 6.78 -35.38 2 3 1 26 295.472 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.22 5.79 -40.12 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 3.22 4.61 -3.42 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 3.22 6.81 -36.36 2 3 1 26 295.472 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.99 6.26 -42.03 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 2.99 4.9 -2.82 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 2.99 8.08 -121.36 3 3 2 30 296.48 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.99 6.27 -38.49 2 3 1 29 295.472 5 ↓
Mid Mid (pH 6-8) 2.99 5.66 -2.93 1 3 0 24 294.464 5 ↓
Lo Low (pH 4.5-6) 2.99 8.31 -113.94 3 3 2 30 296.48 5 ↓

Parameters Provided:

ring.id = 61746
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 = 61746 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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