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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: (7R)-2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-benzot (7R)-2-[(4aR,8aR)-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) 0.88 5.72 -44.96 3 4 1 53 294.444 1 ↓
Hi High (pH 8-9.5) 0.88 5.39 -5.84 2 4 0 51 293.436 1 ↓
Mid Mid (pH 6-8) 0.88 5.28 -99.61 4 4 2 54 295.452 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-benzot (7R)-2-[(4aR,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) 0.88 5.45 -45.58 3 4 1 53 294.444 1 ↓
Hi High (pH 8-9.5) 0.88 5.12 -6.46 2 4 0 51 293.436 1 ↓
Mid Mid (pH 6-8) 0.88 5.86 -96.71 4 4 2 54 295.452 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-benzot (7R)-2-[(4aS,8aR)-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) 0.88 5.45 -45.63 3 4 1 53 294.444 1 ↓
Hi High (pH 8-9.5) 0.88 5.12 -6.35 2 4 0 51 293.436 1 ↓
Mid Mid (pH 6-8) 0.88 5.86 -96.65 4 4 2 54 295.452 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-benzot (7R)-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) 0.88 5.72 -44.87 3 4 1 53 294.444 1 ↓
Hi High (pH 8-9.5) 0.88 5.39 -5.89 2 4 0 51 293.436 1 ↓
Mid Mid (pH 6-8) 0.88 5.28 -99.44 4 4 2 54 295.452 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-methyl-4,5,6,7-tetrahydro-1 (7R)-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) 3.13 7.47 -39.27 2 4 1 42 308.471 2 ↓
Hi High (pH 8-9.5) 3.13 6.05 -4.73 1 4 0 37 307.463 2 ↓
Mid Mid (pH 6-8) 3.13 7.01 -92.95 3 4 2 43 309.479 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-methyl-4,5,6,7-tetrahydro-1 (7S)-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) 3.13 7.47 -39.26 2 4 1 42 308.471 2 ↓
Hi High (pH 8-9.5) 3.13 6.04 -6.12 1 4 0 37 307.463 2 ↓
Mid Mid (pH 6-8) 3.13 7.02 -93.14 3 4 2 43 309.479 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-benzot (7R)-2-[(4aR,8aR)-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) 2.58 5.14 -6.28 1 4 0 46 294.42 1 ↓
Mid Mid (pH 6-8) 2.58 4.69 -25.55 2 4 1 47 295.428 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-benzot (7R)-2-[(4aR,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) 2.58 4.87 -6.81 1 4 0 46 294.42 1 ↓
Mid Mid (pH 6-8) 2.58 5.28 -25.86 2 4 1 47 295.428 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-benzot (7R)-2-[(4aS,8aR)-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) 2.58 4.87 -6.79 1 4 0 46 294.42 1 ↓
Mid Mid (pH 6-8) 2.58 5.28 -25.92 2 4 1 47 295.428 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-4,5,6,7-tetrahydro-1,3-benzot (7R)-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) 2.58 5.14 -6.25 1 4 0 46 294.42 1 ↓
Mid Mid (pH 6-8) 2.58 4.7 -25.59 2 4 1 47 295.428 1 ↓

Parameters Provided:

ring.id = 158405
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 = 158405 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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