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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-ethanol (1S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.42 4.73 -6.46 1 3 0 33 269.344 3 ↓
Mid Mid (pH 6-8) 2.42 6.96 -39.4 2 3 1 34 270.352 3 ↓

Analogs

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Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-ethanol (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.42 4.83 -6.33 1 3 0 33 269.344 3 ↓
Mid Mid (pH 6-8) 2.42 6.97 -39.37 2 3 1 34 270.352 3 ↓

Analogs

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Popular Name: (2S)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-phenyl-propan-2-ol (2S)-1-(3,5-dihydro-2H-1,4-benzo…

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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) 3.01 6.24 -5.55 1 3 0 33 283.371 3 ↓
Mid Mid (pH 6-8) 3.01 7.85 -38.62 2 3 1 34 284.379 3 ↓

Analogs

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Popular Name: (2R)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-phenyl-propan-2-ol (2R)-1-(3,5-dihydro-2H-1,4-benzo…

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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) 3.01 6.25 -5.52 1 3 0 33 283.371 3 ↓
Mid Mid (pH 6-8) 3.01 7.82 -38.66 2 3 1 34 284.379 3 ↓

Analogs

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Popular Name: 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline 4-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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) 2.49 7.86 -38.47 3 3 1 40 269.368 3 ↓
Hi High (pH 8-9.5) 2.49 5.79 -5.47 2 3 0 38 268.36 3 ↓

Analogs

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Popular Name: (1R)-1-(3-aminophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanol (1R)-1-(3-aminophenyl)-2-(3,5-di…

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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) 1.48 2.76 -7.1 3 4 0 59 284.359 3 ↓
Mid Mid (pH 6-8) 1.48 4.86 -39.01 4 4 1 60 285.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-aminophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanol (1S)-1-(3-aminophenyl)-2-(3,5-di…

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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) 1.48 2.6 -7.09 3 4 0 59 284.359 3 ↓
Mid Mid (pH 6-8) 1.48 4.8 -39.22 4 4 1 60 285.367 3 ↓

Analogs

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Popular Name: (1R)-1-(2-aminophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanol (1R)-1-(2-aminophenyl)-2-(3,5-di…

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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) 1.86 2.84 -6.7 3 4 0 59 284.359 3 ↓
Mid Mid (pH 6-8) 1.86 4.95 -39.57 4 4 1 60 285.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-aminophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanol (1S)-1-(2-aminophenyl)-2-(3,5-di…

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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) 1.86 2.93 -6.75 3 4 0 59 284.359 3 ↓
Mid Mid (pH 6-8) 1.86 4.96 -39.22 4 4 1 60 285.367 3 ↓

Analogs

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Popular Name: (1R)-1-(4-aminophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanol (1R)-1-(4-aminophenyl)-2-(3,5-di…

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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) 1.50 4.84 -38.87 4 4 1 60 285.367 3 ↓
Mid Mid (pH 6-8) 1.50 2.71 -6.99 3 4 0 59 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-aminophenyl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanol (1S)-1-(4-aminophenyl)-2-(3,5-di…

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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) 1.50 4.8 -38.92 4 4 1 60 285.367 3 ↓
Mid Mid (pH 6-8) 1.50 2.6 -7.09 3 4 0 59 284.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]aniline 2-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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) 2.85 7.96 -39.7 3 3 1 40 269.368 3 ↓
Mid Mid (pH 6-8) 2.85 5.87 -5.22 2 3 0 38 268.36 3 ↓

Analogs

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Popular Name: (2S)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-phenyl-propan-1-amine (2S)-3-(3,5-dihydro-2H-1,4-benzo…

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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) 2.48 5.98 -54.61 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-phenyl-propan-1-amine (2R)-3-(3,5-dihydro-2H-1,4-benzo…

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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) 2.48 6.07 -45.42 3 3 1 40 283.395 4 ↓

Analogs

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Popular Name: (2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-phenyl-propan-1-amine (2S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.21 6.41 -51.39 3 3 1 40 283.395 4 ↓
Lo Low (pH 4.5-6) 2.21 7.27 -130.25 4 3 2 41 284.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-phenyl-propan-1-amine (2R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.21 6.02 -55.6 3 3 1 40 283.395 4 ↓
Lo Low (pH 4.5-6) 2.21 7.96 -133.33 4 3 2 41 284.403 4 ↓

Analogs

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Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-1-phenyl-ethanamine (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.98 7.22 -45.86 2 3 1 29 283.395 4 ↓
Hi High (pH 8-9.5) 2.98 6.68 -3.85 1 3 0 24 282.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-1-phenyl-ethanamine (1S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.98 7.63 -39.53 2 3 1 29 283.395 4 ↓
Hi High (pH 8-9.5) 2.98 5.92 -4.66 1 3 0 24 282.387 4 ↓

Analogs

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Popular Name: (1S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(o-tolyl)ethanamine (1S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.13 6.28 -45.91 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 1.13 5.64 -4.81 2 3 0 38 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(o-tolyl)ethanamine (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.13 6.35 -45.45 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 1.13 5.95 -4.38 2 3 0 38 282.387 3 ↓

Analogs

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Popular Name: (1S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(p-tolyl)ethanamine (1S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.17 6.66 -45.59 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 1.17 5.83 -4.81 2 3 0 38 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(p-tolyl)ethanamine (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.17 6.48 -45.94 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 1.17 6.07 -4.42 2 3 0 38 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-ethanamine (1S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 0.73 5.98 -45.46 3 3 1 40 269.368 3 ↓
Hi High (pH 8-9.5) 0.73 5.57 -4.36 2 3 0 38 268.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-ethanamine (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 0.73 5.8 -45.87 3 3 1 40 269.368 3 ↓
Hi High (pH 8-9.5) 0.73 5.16 -4.78 2 3 0 38 268.36 3 ↓

Analogs

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Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(m-tolyl)ethanamine (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.15 6.47 -46.02 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 1.15 6.06 -4.4 2 3 0 38 282.387 3 ↓

Analogs

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Popular Name: (1S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(o-tolyl)ethanol (1S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.83 5.42 -6.32 1 3 0 33 283.371 3 ↓
Mid Mid (pH 6-8) 2.83 7.5 -39.43 2 3 1 34 284.379 3 ↓

Analogs

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Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(o-tolyl)ethanol (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.83 5.4 -6.19 1 3 0 33 283.371 3 ↓
Mid Mid (pH 6-8) 2.83 7.52 -39.63 2 3 1 34 284.379 3 ↓

Analogs

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Popular Name: (1S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(p-tolyl)ethanol (1S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.87 5.4 -6.51 1 3 0 33 283.371 3 ↓
Mid Mid (pH 6-8) 2.87 7.63 -39.35 2 3 1 34 284.379 3 ↓

Analogs

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Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(p-tolyl)ethanol (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 2.87 5.51 -6.34 1 3 0 33 283.371 3 ↓
Mid Mid (pH 6-8) 2.87 7.64 -39.32 2 3 1 34 284.379 3 ↓

Analogs

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Popular Name: (2S)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-phenyl-propan-2-amine (2S)-1-(3,5-dihydro-2H-1,4-benzo…

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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) 3.05 6.01 -43.41 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 3.05 5.83 -4.23 2 3 0 38 282.387 3 ↓

Analogs

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Popular Name: (2R)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-phenyl-propan-2-amine (2R)-1-(3,5-dihydro-2H-1,4-benzo…

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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) 3.05 6.48 -43.54 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 3.05 6.38 -4.95 2 3 0 38 282.387 3 ↓

Analogs

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Popular Name: (1S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-methylsulfonylphenyl)ethanol (1S)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.29 2.27 -15.49 1 5 0 67 347.436 4 ↓
Lo Low (pH 4.5-6) 1.29 4.5 -53.46 2 5 1 68 348.444 4 ↓

Analogs

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Popular Name: (1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-methylsulfonylphenyl)ethanol (1R)-2-(3,5-dihydro-2H-1,4-benzo…

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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) 1.29 2.41 -14.97 1 5 0 67 347.436 4 ↓
Lo Low (pH 4.5-6) 1.29 4.52 -50.83 2 5 1 68 348.444 4 ↓

Analogs

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Popular Name: 4-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]benzenesulfonamide 4-[2-(3,5-dihydro-2H-1,4-benzoxa…

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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) 2.11 2.87 -12.71 2 5 0 73 332.425 4 ↓
Mid Mid (pH 6-8) 2.11 4.95 -53.68 3 5 1 74 333.433 4 ↓

Parameters Provided:

ring.id = 179359
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 = 179359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=179359&filter.purchasability=annotated

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