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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: (3R,4aS,8aR)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aS,8aR)-3-phenyl-3,4,4a,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) 2.91 6.44 -33.73 2 2 1 26 218.32 1 ↓
Hi High (pH 8-9.5) 2.91 5.69 -2.03 1 2 0 21 217.312 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4aS,8aR)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3S,4aS,8aR)-3-phenyl-3,4,4a,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) 2.91 6.34 -37.15 2 2 1 26 218.32 1 ↓
Hi High (pH 8-9.5) 2.91 5.13 -2.74 1 2 0 21 217.312 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aS,8aS)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aS,8aS)-3-phenyl-3,4,4a,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) 2.91 6.39 -35.45 2 2 1 26 218.32 1 ↓
Hi High (pH 8-9.5) 2.91 5.32 -2.45 1 2 0 21 217.312 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4aS,8aS)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3S,4aS,8aS)-3-phenyl-3,4,4a,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) 2.91 6.09 -39.48 2 2 1 26 218.32 1 ↓
Hi High (pH 8-9.5) 2.91 4.86 -2.97 1 2 0 21 217.312 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aR)-6-isopropyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aR)-6-isopropyl-3-ph…

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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) 4.42 7.8 -40.67 2 2 1 26 260.401 2 ↓
Hi High (pH 8-9.5) 4.42 6.58 -2.68 1 2 0 21 259.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aR)-6-isopropyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aR)-6-isopropyl-3-ph…

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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) 4.42 7.54 -40.71 2 2 1 26 260.401 2 ↓
Hi High (pH 8-9.5) 4.42 6.32 -2.65 1 2 0 21 259.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aS)-6-isopropyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aS)-6-isopropyl-3-ph…

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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) 4.42 8.06 -38.32 2 2 1 26 260.401 2 ↓
Hi High (pH 8-9.5) 4.42 6.83 -2.52 1 2 0 21 259.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aS)-6-isopropyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aS)-6-isopropyl-3-ph…

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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) 4.42 7.79 -38.03 2 2 1 26 260.401 2 ↓
Hi High (pH 8-9.5) 4.42 6.57 -2.52 1 2 0 21 259.393 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aR)-6-methyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aR)-6-methyl-3-pheny…

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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) 2.92 6.7 -39.77 2 2 1 26 232.347 1 ↓
Hi High (pH 8-9.5) 2.92 5.46 -2.79 1 2 0 21 231.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aR)-6-methyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aR)-6-methyl-3-pheny…

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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) 2.92 6.46 -39.71 2 2 1 26 232.347 1 ↓
Hi High (pH 8-9.5) 2.92 5.24 -2.78 1 2 0 21 231.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aS)-6-methyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aS)-6-methyl-3-pheny…

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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) 2.92 6.95 -37.72 2 2 1 26 232.347 1 ↓
Hi High (pH 8-9.5) 2.92 5.73 -2.7 1 2 0 21 231.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aS)-6-methyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aS)-6-methyl-3-pheny…

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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) 2.92 6.71 -37.07 2 2 1 26 232.347 1 ↓
Hi High (pH 8-9.5) 2.92 5.48 -2.68 1 2 0 21 231.339 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aR)-6-(1,1-dimethylpropyl)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aR)-6-(1,1-dimethylp…

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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) 4.58 8.55 -41.15 2 2 1 26 288.455 3 ↓
Hi High (pH 8-9.5) 4.58 7.33 -2.59 1 2 0 21 287.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aR)-6-(1,1-dimethylpropyl)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aR)-6-(1,1-dimethylp…

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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) 4.58 8.62 -41.82 2 2 1 26 288.455 3 ↓
Hi High (pH 8-9.5) 4.58 7.47 -2.54 1 2 0 21 287.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aS)-6-(1,1-dimethylpropyl)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aS)-6-(1,1-dimethylp…

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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) 4.58 8.82 -38.63 2 2 1 26 288.455 3 ↓
Hi High (pH 8-9.5) 4.58 7.59 -2.24 1 2 0 21 287.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aS)-6-(1,1-dimethylpropyl)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aS)-6-(1,1-dimethylp…

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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) 4.58 8.59 -38.79 2 2 1 26 288.455 3 ↓
Hi High (pH 8-9.5) 4.58 7.7 -2.29 1 2 0 21 287.447 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aR)-6-ethyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aR)-6-ethyl-3-phenyl…

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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) 3.60 7.35 -40.26 2 2 1 26 246.374 2 ↓
Hi High (pH 8-9.5) 3.60 6.11 -2.7 1 2 0 21 245.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aR)-6-ethyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aR)-6-ethyl-3-phenyl…

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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) 3.60 7.07 -40.19 2 2 1 26 246.374 2 ↓
Hi High (pH 8-9.5) 3.60 5.85 -2.69 1 2 0 21 245.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aS)-6-ethyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aS)-6-ethyl-3-phenyl…

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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) 3.60 7.6 -38.03 2 2 1 26 246.374 2 ↓
Hi High (pH 8-9.5) 3.60 6.38 -2.61 1 2 0 21 245.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aS)-6-ethyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aS)-6-ethyl-3-phenyl…

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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) 3.60 7.33 -37.66 2 2 1 26 246.374 2 ↓
Hi High (pH 8-9.5) 3.60 6.11 -2.55 1 2 0 21 245.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aR)-6-tert-butyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aR)-6-tert-butyl-3-p…

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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) 4.25 8.06 -41.15 2 2 1 26 274.428 2 ↓
Hi High (pH 8-9.5) 4.25 6.84 -2.63 1 2 0 21 273.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aR)-6-tert-butyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aR)-6-tert-butyl-3-p…

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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) 4.25 8.17 -41.25 2 2 1 26 274.428 2 ↓
Hi High (pH 8-9.5) 4.25 7.01 -2.45 1 2 0 21 273.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aS)-6-tert-butyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aS)-6-tert-butyl-3-p…

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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) 4.25 8.33 -38.69 2 2 1 26 274.428 2 ↓
Hi High (pH 8-9.5) 4.25 7.1 -2.32 1 2 0 21 273.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aS)-6-tert-butyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aS)-6-tert-butyl-3-p…

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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) 4.25 8.1 -38.62 2 2 1 26 274.428 2 ↓
Hi High (pH 8-9.5) 4.25 7.21 -2.29 1 2 0 21 273.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aR)-3-phenyl-6-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aR)-3-phenyl-6-propy…

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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) 4.16 8.1 -40.39 2 2 1 26 260.401 3 ↓
Hi High (pH 8-9.5) 4.16 6.87 -2.65 1 2 0 21 259.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aR)-3-phenyl-6-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aR)-3-phenyl-6-propy…

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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) 4.16 7.84 -40.33 2 2 1 26 260.401 3 ↓
Hi High (pH 8-9.5) 4.16 6.62 -2.72 1 2 0 21 259.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6R,8aS)-3-phenyl-6-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6R,8aS)-3-phenyl-6-propy…

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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) 4.16 8.36 -38.15 2 2 1 26 260.401 3 ↓
Hi High (pH 8-9.5) 4.16 7.13 -2.57 1 2 0 21 259.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4aR,6S,8aS)-3-phenyl-6-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (3R,4aR,6S,8aS)-3-phenyl-6-propy…

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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) 4.16 8.1 -37.91 2 2 1 26 260.401 3 ↓
Hi High (pH 8-9.5) 4.16 6.87 -2.53 1 2 0 21 259.393 3 ↓

Parameters Provided:

ring.id = 331426
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 = 331426 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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