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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-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]meth 2-[(4aR,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) 1.38 3.51 -39.48 2 4 1 38 269.409 5 ↓
Hi High (pH 8-9.5) 1.38 2.09 -4.15 1 4 0 34 268.401 5 ↓
Lo Low (pH 4.5-6) 1.38 5.72 -115.66 3 4 2 40 270.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-[[(2S)-tetrahydrofuran-2-yl]meth 2-[(4aR,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) 1.38 3.44 -39.04 2 4 1 38 269.409 5 ↓
Hi High (pH 8-9.5) 1.38 2.03 -3.88 1 4 0 34 268.401 5 ↓
Lo Low (pH 4.5-6) 1.38 5.62 -117.11 3 4 2 40 270.417 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-[[(2S)-tetrahydrofuran-2-yl]meth 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) 1.38 3.44 -39.14 2 4 1 38 269.409 5 ↓
Hi High (pH 8-9.5) 1.38 2.03 -3.75 1 4 0 34 268.401 5 ↓
Lo Low (pH 4.5-6) 1.38 5.62 -116.97 3 4 2 40 270.417 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-[[(2S)-tetrahydrofuran-2-yl]meth 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) 1.38 3.51 -39.53 2 4 1 38 269.409 5 ↓
Hi High (pH 8-9.5) 1.38 2.09 -4.36 1 4 0 34 268.401 5 ↓
Lo Low (pH 4.5-6) 1.38 5.72 -115.73 3 4 2 40 270.417 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-[(2S)-tetrahydrofu (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) 2.06 4.23 -38.76 2 4 1 38 283.436 5 ↓
Hi High (pH 8-9.5) 2.06 2.98 -3.59 1 4 0 34 282.428 5 ↓
Lo Low (pH 4.5-6) 2.06 6.44 -117.86 3 4 2 40 284.444 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-[(2S)-tetrahydrofu (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) 2.06 3.95 -37.92 2 4 1 38 283.436 5 ↓
Hi High (pH 8-9.5) 2.06 2.76 -3.22 1 4 0 34 282.428 5 ↓
Lo Low (pH 4.5-6) 2.06 6.15 -114.7 3 4 2 40 284.444 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-[(2R)-tetrahydrofu (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) 2.06 3.97 -38.24 2 4 1 38 283.436 5 ↓
Hi High (pH 8-9.5) 2.06 2.74 -3.7 1 4 0 34 282.428 5 ↓
Lo Low (pH 4.5-6) 2.06 6.17 -115.23 3 4 2 40 284.444 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-[(2R)-tetrahydrofu (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) 2.06 4.22 -38.4 2 4 1 38 283.436 5 ↓
Hi High (pH 8-9.5) 2.06 3.32 -2.63 1 4 0 34 282.428 5 ↓
Lo Low (pH 4.5-6) 2.06 6.41 -116.68 3 4 2 40 284.444 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-[[(2S)-tetrahydrofuran-2-yl (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) 1.72 4.5 -37.92 2 4 1 38 283.436 5 ↓
Hi High (pH 8-9.5) 1.72 3.07 -3.46 1 4 0 34 282.428 5 ↓
Lo Low (pH 4.5-6) 1.72 6.31 -115.46 3 4 2 40 284.444 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-[[(2S)-tetrahydrofuran-2-yl (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) 1.72 4.52 -36.43 2 4 1 38 283.436 5 ↓
Hi High (pH 8-9.5) 1.72 3.82 -3.9 1 4 0 34 282.428 5 ↓
Lo Low (pH 4.5-6) 1.72 6.54 -108.13 3 4 2 40 284.444 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-[[(2R)-tetrahydrofuran-2-yl (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) 1.72 4.51 -38.48 2 4 1 38 283.436 5 ↓
Hi High (pH 8-9.5) 1.72 3.17 -2.9 1 4 0 34 282.428 5 ↓
Lo Low (pH 4.5-6) 1.72 6.28 -114.86 3 4 2 40 284.444 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-[[(2R)-tetrahydrofuran-2-yl (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) 1.72 4.52 -35.02 2 4 1 38 283.436 5 ↓
Hi High (pH 8-9.5) 1.72 3.92 -2.59 1 4 0 34 282.428 5 ↓
Lo Low (pH 4.5-6) 1.72 6.55 -107.84 3 4 2 40 284.444 5 ↓

Parameters Provided:

ring.id = 61752
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 = 61752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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