UCSF
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Analogs

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Popular Name: 4-(4-bromo-2-nitro-phenyl)-3,5-dihydro-2H-1,4-benzoxazepine 4-(4-bromo-2-nitro-phenyl)-3,5-d…

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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) 4.00 10.2 -5.47 0 5 0 58 349.184 2 ↓

Analogs

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Popular Name: 2-chloro-6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzonitrile 2-chloro-6-(3,5-dihydro-2H-1,4-b…

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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) 3.65 9.07 -11.28 0 3 0 36 284.746 1 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzonitrile 4-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.06 8.3 -8.69 0 3 0 36 250.301 1 ↓

Analogs

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Popular Name: 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-6-fluoro-phenyl]ethanone 1-[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) 3.27 9.52 -5.76 0 3 0 30 285.318 2 ↓

Analogs

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Popular Name: 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]ethanone 1-[4-(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) 3.21 8.38 -10.72 0 3 0 30 267.328 2 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzonitrile 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.02 8.66 -9.49 0 3 0 36 250.301 1 ↓

Analogs

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Popular Name: [5-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]methanamine [5-chloro-2-(3,5-dihydro-2H-1,4-…

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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) 3.10 7.13 -52.53 3 3 1 40 289.786 2 ↓
Hi High (pH 8-9.5) 3.10 7.67 -2.51 2 3 0 38 288.778 2 ↓

Analogs

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Popular Name: [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluoro-phenyl]methanamine [4-(3,5-dihydro-2H-1,4-benzoxaze…

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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 6.39 -51.54 3 3 1 40 273.331 2 ↓
Hi High (pH 8-9.5) 2.58 5.98 -8.08 2 3 0 38 272.323 2 ↓

Analogs

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Popular Name: [4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-methyl-phenyl]methanamine [4-(3,5-dihydro-2H-1,4-benzoxaze…

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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 7.17 -46.06 3 3 1 40 269.368 2 ↓

Analogs

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Popular Name: [2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methyl-phenyl]methanamine [2-(3,5-dihydro-2H-1,4-benzoxaze…

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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 7.31 -50.1 3 3 1 40 269.368 2 ↓

Analogs

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Popular Name: [2-chloro-6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]methanamine [2-chloro-6-(3,5-dihydro-2H-1,4-…

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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) 3.08 7.13 -45.42 3 3 1 40 289.786 2 ↓
Hi High (pH 8-9.5) 3.08 6.7 -4.53 2 3 0 38 288.778 2 ↓

Analogs

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Popular Name: [2-chloro-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]methanamine [2-chloro-4-(3,5-dihydro-2H-1,4-…

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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) 3.10 6.38 -42.61 3 3 1 40 289.786 2 ↓
Hi High (pH 8-9.5) 3.10 5.98 -6.18 2 3 0 38 288.778 2 ↓

Analogs

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Popular Name: [3-chloro-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]methanamine [3-chloro-4-(3,5-dihydro-2H-1,4-…

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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) 3.10 6.81 -49.28 3 3 1 40 289.786 2 ↓
Hi High (pH 8-9.5) 3.10 6.41 -5.37 2 3 0 38 288.778 2 ↓

Analogs

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Popular Name: [4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]methanamine [4-chloro-2-(3,5-dihydro-2H-1,4-…

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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) 3.10 7.13 -55.39 3 3 1 40 289.786 2 ↓
Hi High (pH 8-9.5) 3.10 7.67 -2.46 2 3 0 38 288.778 2 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3,5-difluoro-aniline 4-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.57 6.36 -7.17 2 3 0 38 276.286 1 ↓

Analogs

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Popular Name: 5-amino-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzonitrile 5-amino-2-(3,5-dihydro-2H-1,4-be…

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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) 2.07 6.54 -9.72 2 4 0 62 265.316 1 ↓

Analogs

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Popular Name: 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-aniline 3-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.14 7.12 -4.65 2 3 0 38 254.333 1 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluoro-aniline 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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 6.86 -4.49 2 3 0 38 258.296 1 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)aniline 4-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.38 5.77 -6.27 2 3 0 38 240.306 1 ↓
Lo Low (pH 4.5-6) 2.38 5.63 -43.32 3 3 1 40 241.314 1 ↓

Analogs

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Popular Name: 5-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)aniline 5-chloro-2-(3,5-dihydro-2H-1,4-b…

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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 7.31 -3.92 2 3 0 38 274.751 1 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluoro-aniline 4-(3,5-dihydro-2H-1,4-benzoxazep…

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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 6.2 -7.96 2 3 0 38 258.296 1 ↓

Analogs

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Popular Name: 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)aniline 3-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.36 5.77 -6.64 2 3 0 38 240.306 1 ↓

Analogs

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Popular Name: 3-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)aniline 3-chloro-2-(3,5-dihydro-2H-1,4-b…

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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) 3.37 7.62 -3.89 2 3 0 38 274.751 1 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-methyl-aniline 4-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.76 7 -4.71 2 3 0 38 254.333 1 ↓
Lo Low (pH 4.5-6) 2.76 6.86 -44.32 3 3 1 40 255.341 1 ↓
Lo Low (pH 4.5-6) 2.76 7.08 -28.36 3 3 1 40 255.341 1 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-methyl-aniline 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.17 7.47 -4.36 2 3 0 38 254.333 1 ↓
Lo Low (pH 4.5-6) 3.17 7.44 -27.92 3 3 1 40 255.341 1 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-aniline 4-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.17 6.54 -6.45 2 3 0 38 254.333 1 ↓
Lo Low (pH 4.5-6) 3.17 7.06 -29.66 3 3 1 40 255.341 1 ↓

Analogs

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Popular Name: 3-amino-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamide 3-amino-4-(3,5-dihydro-2H-1,4-be…

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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) 1.54 3.6 -10.98 4 5 0 82 283.331 2 ↓

Analogs

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Popular Name: 3-amino-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzonitrile 3-amino-4-(3,5-dihydro-2H-1,4-be…

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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 7.21 -6.25 2 4 0 62 265.316 1 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-6-fluoro-aniline 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.86 6.88 -5.45 2 3 0 38 258.296 1 ↓

Analogs

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Popular Name: 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluoro-aniline 3-(3,5-dihydro-2H-1,4-benzoxazep…

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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 5.84 -7.14 2 3 0 38 258.296 1 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3,4-difluoro-aniline 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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 -5.87 2 3 0 38 276.286 1 ↓

Analogs

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Popular Name: 3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methyl-aniline 3-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.76 7.01 -4.96 2 3 0 38 254.333 1 ↓

Analogs

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Popular Name: 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-aniline 5-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 3.17 6.55 -6.62 2 3 0 38 254.333 1 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-nitro-aniline 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.68 7.5 -7.09 2 6 0 84 285.303 2 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-fluoro-aniline 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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 6.87 -4.46 2 3 0 38 258.296 1 ↓
Lo Low (pH 4.5-6) 2.88 6.83 -32.52 3 3 1 40 259.304 1 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamidine 4-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 1.70 5.78 -33.25 4 4 1 64 268.34 2 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamidine 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 1.65 6.31 -36.3 4 4 1 64 268.34 2 ↓
Hi High (pH 8-9.5) 1.65 7.21 -5.81 3 4 0 62 267.332 2 ↓

Analogs

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Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluoro-benzamidine 4-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 1.79 6.22 -39.13 4 4 1 64 286.33 2 ↓

Analogs

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Popular Name: 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methyl-benzamidine 2-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.07 6.98 -36.4 4 4 1 64 282.367 2 ↓
Hi High (pH 8-9.5) 2.07 7.88 -5.81 3 4 0 62 281.359 2 ↓

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Popular Name: 2-chloro-6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamidine 2-chloro-6-(3,5-dihydro-2H-1,4-b…

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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) 2.28 6.36 -33.66 4 4 1 64 302.785 2 ↓
Mid Mid (pH 6-8) 2.28 6.14 -5.58 3 4 0 62 301.777 2 ↓

Analogs

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Popular Name: 5-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamidine 5-chloro-2-(3,5-dihydro-2H-1,4-b…

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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) 2.30 6.82 -38.02 4 4 1 64 302.785 2 ↓
Mid Mid (pH 6-8) 2.30 7.73 -4.32 3 4 0 62 301.777 2 ↓

Analogs

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Popular Name: 2-chloro-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamidine 2-chloro-4-(3,5-dihydro-2H-1,4-b…

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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) 2.30 5.89 -32.29 4 4 1 64 302.785 2 ↓

Analogs

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Popular Name: 3-chloro-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamidine 3-chloro-4-(3,5-dihydro-2H-1,4-b…

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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) 2.30 6.66 -37.11 4 4 1 64 302.785 2 ↓

Analogs

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Popular Name: 4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamidine 4-chloro-2-(3,5-dihydro-2H-1,4-b…

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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) 2.30 6.83 -40.8 4 4 1 64 302.785 2 ↓
Mid Mid (pH 6-8) 2.30 7.73 -5.78 3 4 0 62 301.777 2 ↓

Analogs

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Popular Name: 1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluoro-phenyl]ethanone 1-[4-(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) 3.30 8.87 -13.85 0 3 0 30 285.318 2 ↓

Analogs

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Popular Name: 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluoro-phenyl]ethanone 1-[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) 3.30 9.59 -6.08 0 3 0 30 285.318 2 ↓

Analogs

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Popular Name: 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]ethanone 1-[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) 3.16 9.46 -7.67 0 3 0 30 267.328 2 ↓

Analogs

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Popular Name: 1-[3-chloro-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]ethanone 1-[3-chloro-4-(3,5-dihydro-2H-1,…

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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) 3.81 9.22 -11.72 0 3 0 30 301.773 2 ↓

Analogs

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Popular Name: 1-[3-bromo-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]ethanone 1-[3-bromo-4-(3,5-dihydro-2H-1,4…

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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) 3.94 9.34 -11.38 0 3 0 30 346.224 2 ↓

Analogs

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

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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 7.21 -49.75 3 3 1 40 269.368 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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