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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [5-chloro-2-(1,3,4,5-tetrahydro-…

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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) 3.74 8.91 -49.38 3 2 1 31 287.814 2 ↓
Hi High (pH 8-9.5) 3.74 8.63 -2.84 2 2 0 29 286.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [4-(1,3,4,5-tetrahydro-2-benzaze…

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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 7.73 -42.69 3 2 1 31 253.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [2-(1,3,4,5-tetrahydro-2-benzaze…

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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 8.4 -46.8 3 2 1 31 253.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [3-fluoro-4-(1,3,4,5-tetrahydro-…

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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) 3.23 8.24 -48.36 3 2 1 31 271.359 2 ↓
Hi High (pH 8-9.5) 3.23 7.84 -4.14 2 2 0 29 270.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [3-methyl-4-(1,3,4,5-tetrahydro-…

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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) 3.51 9.22 -44.51 3 2 1 31 267.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [4-methyl-2-(1,3,4,5-tetrahydro-…

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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) 3.51 9.11 -46.71 3 2 1 31 267.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [2-chloro-4-(1,3,4,5-tetrahydro-…

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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) 3.74 8.18 -39.56 3 2 1 31 287.814 2 ↓
Hi High (pH 8-9.5) 3.74 7.74 -4.89 2 2 0 29 286.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [3-chloro-4-(1,3,4,5-tetrahydro-…

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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) 3.74 8.92 -46.84 3 2 1 31 287.814 2 ↓
Hi High (pH 8-9.5) 3.74 8.51 -3.13 2 2 0 29 286.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanamine [4-chloro-2-(1,3,4,5-tetrahydro-…

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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) 3.74 8.91 -52.05 3 2 1 31 287.814 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 3,5-difluoro-4-(1,3,4,5-tetrahyd…

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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 8.12 -5.18 2 2 0 29 274.314 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzonitrile 5-amino-2-(1,3,4,5-tetrahydro-2-…

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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) 2.71 8.63 -5.9 2 3 0 53 263.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 2-methyl-3-(1,3,4,5-tetrahydro-2…

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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) 3.79 9.21 -3.72 2 2 0 29 252.361 1 ↓
Lo Low (pH 4.5-6) 3.79 8.96 -28.07 3 2 1 30 253.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 5-fluoro-2-(1,3,4,5-tetrahydro-2…

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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) 3.52 8.51 -3.55 2 2 0 29 256.324 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 5-chloro-2-(1,3,4,5-tetrahydro-2…

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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) 4.04 8.96 -3.02 2 2 0 29 272.779 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 5-bromo-2-(1,3,4,5-tetrahydro-2-…

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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) 4.17 9.06 -2.95 2 2 0 29 317.23 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 3-fluoro-4-(1,3,4,5-tetrahydro-2…

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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) 3.12 8.07 -4.3 2 2 0 29 256.324 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 3-(1,3,4,5-tetrahydro-2-benzazep…

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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) 3.00 7.56 -4.63 2 2 0 29 238.334 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 3-chloro-2-(1,3,4,5-tetrahydro-2…

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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) 4.01 8.77 -3.86 2 2 0 29 272.779 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 3-methyl-4-(1,3,4,5-tetrahydro-2…

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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 9.06 -3.52 2 2 0 29 252.361 1 ↓
Mid Mid (pH 6-8) 3.40 8.84 -28.07 3 2 1 30 253.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 5-methyl-2-(1,3,4,5-tetrahydro-2…

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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 9.2 -3.25 2 2 0 29 252.361 1 ↓
Lo Low (pH 4.5-6) 3.81 8.93 -43.75 3 2 1 31 253.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 2-methyl-4-(1,3,4,5-tetrahydro-2…

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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 8.35 -4.43 2 2 0 29 252.361 1 ↓
Lo Low (pH 4.5-6) 3.81 8.82 -29.16 3 2 1 30 253.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzonitrile 3-amino-4-(1,3,4,5-tetrahydro-2-…

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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) 3.12 8.86 -5.29 2 3 0 53 263.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 2-fluoro-6-(1,3,4,5-tetrahydro-2…

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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) 3.50 8.54 -3.19 2 2 0 29 256.324 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 3-fluoro-5-(1,3,4,5-tetrahydro-2…

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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) 3.12 7.64 -5.29 2 2 0 29 256.324 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 3,4-difluoro-2-(1,3,4,5-tetrahyd…

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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) 3.62 8.54 -7.66 2 2 0 29 274.314 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 4-methyl-3-(1,3,4,5-tetrahydro-2…

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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 9.07 -3.46 2 2 0 29 252.361 1 ↓
Lo Low (pH 4.5-6) 3.40 8.85 -27.9 3 2 1 30 253.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 2-methyl-5-(1,3,4,5-tetrahydro-2…

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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 8.35 -4.67 2 2 0 29 252.361 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-nitro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 5-nitro-2-(1,3,4,5-tetrahydro-2-…

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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) 3.32 9.15 -6.21 2 5 0 75 283.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline 4-fluoro-2-(1,3,4,5-tetrahydro-2…

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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) 3.52 8.52 -4.87 2 2 0 29 256.324 1 ↓
Lo Low (pH 4.5-6) 3.52 8.38 -50.46 3 2 1 31 257.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine N'-hydroxy-4-(1,3,4,5-tetrahydro…

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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) 2.26 6.38 -8.8 3 4 0 62 281.359 2 ↓
Lo Low (pH 4.5-6) 2.26 6.33 -32.28 4 4 1 63 282.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine N'-hydroxy-2-(1,3,4,5-tetrahydro…

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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 7.03 -6.3 3 4 0 62 281.359 2 ↓
Lo Low (pH 4.5-6) 2.21 6.96 -34.31 4 4 1 63 282.367 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 4-(1,3,4,5-tetrahydro-2-benzazep…

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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) 2.34 7.58 -31.07 4 3 1 55 266.368 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 2-(1,3,4,5-tetrahydro-2-benzazep…

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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) 2.29 8.11 -33.38 4 3 1 55 266.368 2 ↓
Hi High (pH 8-9.5) 2.29 9.03 -4.53 3 3 0 53 265.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 3-fluoro-4-(1,3,4,5-tetrahydro-2…

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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) 2.43 8.08 -35.31 4 3 1 55 284.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 4-methyl-2-(1,3,4,5-tetrahydro-2…

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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) 2.71 8.75 -33.54 4 3 1 55 280.395 2 ↓
Hi High (pH 8-9.5) 2.71 9.69 -4.6 3 3 0 53 279.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 2-chloro-6-(1,3,4,5-tetrahydro-2…

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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 8.2 -31.02 4 3 1 55 300.813 2 ↓
Mid Mid (pH 6-8) 2.92 8.14 -4.9 3 3 0 53 299.805 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 5-chloro-2-(1,3,4,5-tetrahydro-2…

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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) 2.94 8.62 -35.31 4 3 1 55 300.813 2 ↓
Hi High (pH 8-9.5) 2.94 9.55 -3.22 3 3 0 53 299.805 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 2-chloro-4-(1,3,4,5-tetrahydro-2…

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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) 2.94 7.69 -30.1 4 3 1 55 300.813 2 ↓

Analogs

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Popular Name: 3-chloro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 3-chloro-4-(1,3,4,5-tetrahydro-2…

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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) 2.94 8.76 -34.1 4 3 1 55 300.813 2 ↓

Analogs

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Popular Name: 4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzamidine 4-chloro-2-(1,3,4,5-tetrahydro-2…

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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) 2.94 8.63 -37.88 4 3 1 55 300.813 2 ↓
Hi High (pH 8-9.5) 2.94 9.55 -4.35 3 3 0 53 299.805 2 ↓

Analogs

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Popular Name: 1-[3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanone 1-[3-fluoro-4-(1,3,4,5-tetrahydr…

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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 10.59 -11.03 0 2 0 20 283.346 2 ↓

Analogs

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Popular Name: 1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanone 1-[5-fluoro-2-(1,3,4,5-tetrahydr…

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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 11.4 -5.14 0 2 0 20 283.346 2 ↓

Analogs

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Popular Name: 1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanone 1-[4-(1,3,4,5-tetrahydro-2-benza…

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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) 3.85 10.19 -8.79 0 2 0 20 265.356 2 ↓

Analogs

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Popular Name: 1-[2-fluoro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanone 1-[2-fluoro-6-(1,3,4,5-tetrahydr…

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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) 3.92 10.91 -6.87 0 2 0 20 283.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanone 1-[2-(1,3,4,5-tetrahydro-2-benza…

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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) 3.80 11.33 -6.65 0 2 0 20 265.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-chloro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanone 1-[3-chloro-4-(1,3,4,5-tetrahydr…

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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) 4.45 10.87 -9.45 0 2 0 20 299.801 2 ↓

Analogs

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Popular Name: 1-[3-bromo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanone 1-[3-bromo-4-(1,3,4,5-tetrahydro…

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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 10.92 -9.26 0 2 0 20 344.252 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanamine (1S)-1-[2-(1,3,4,5-tetrahydro-2-…

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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) 1.77 9 -46.56 3 2 1 31 267.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanamine (1R)-1-[2-(1,3,4,5-tetrahydro-2-…

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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) 1.77 9.01 -47.07 3 2 1 31 267.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanamine (1S)-1-[3-fluoro-4-(1,3,4,5-tetr…

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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) 1.91 8.86 -49.09 3 2 1 31 285.386 2 ↓
Hi High (pH 8-9.5) 1.91 8.52 -4.55 2 2 0 29 284.378 2 ↓

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Structural Results Found: (before additional filtering)

SQL Query Was

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