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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: 4-methoxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)aniline 4-methoxy-3-(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) 2.71 8.27 -32.67 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 2.71 6.16 -5.35 2 3 0 38 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)aniline 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) 3.08 8.98 -35.87 3 2 1 30 253.369 2 ↓
Hi High (pH 8-9.5) 3.08 7.03 -3.5 2 2 0 29 252.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 2.70 8.74 -35.42 3 2 1 30 253.369 2 ↓
Hi High (pH 8-9.5) 2.70 6.65 -4.08 2 2 0 29 252.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)aniline 2-methoxy-5-(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) 3.12 8.15 -37.83 3 3 1 40 283.395 3 ↓
Hi High (pH 8-9.5) 3.12 6.1 -5.06 2 3 0 38 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 3.23 9.05 -39.65 3 2 1 30 271.359 2 ↓
Hi High (pH 8-9.5) 3.23 7.1 -4.48 2 2 0 29 270.351 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)aniline 3-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) 3.85 9.46 -32.08 3 2 1 30 332.265 2 ↓
Hi High (pH 8-9.5) 3.85 7.42 -4.47 2 2 0 29 331.257 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)aniline 2-chloro-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) 3.74 9.32 -39.73 3 2 1 30 287.814 2 ↓
Hi High (pH 8-9.5) 3.74 7.23 -3.93 2 2 0 29 286.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)aniline 4-chloro-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) 3.33 9.28 -33.06 3 2 1 30 287.814 2 ↓
Hi High (pH 8-9.5) 3.33 7.21 -4.49 2 2 0 29 286.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)phenol 4-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) 2.64 6.18 -35.48 4 3 1 51 269.368 2 ↓
Hi High (pH 8-9.5) 2.64 3.88 -4.36 3 3 0 49 268.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)phenol 2-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) 2.84 6 -38.67 4 3 1 51 269.368 2 ↓
Hi High (pH 8-9.5) 2.84 3.91 -5.24 3 3 0 49 268.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 3.49 9.47 -35.2 3 2 1 30 267.396 2 ↓
Hi High (pH 8-9.5) 3.49 7.35 -3.82 2 2 0 29 266.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)aniline 3-bromo-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) 3.46 9.37 -33.18 3 2 1 30 332.265 2 ↓
Hi High (pH 8-9.5) 3.46 7.45 -4.35 2 2 0 29 331.257 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 3.74 9.5 -40.59 3 2 1 30 287.814 2 ↓
Hi High (pH 8-9.5) 3.74 7.55 -3.76 2 2 0 29 286.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]aniline 4-[(1S)-1-(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) 3.29 9.37 -32.35 3 2 1 30 267.396 2 ↓
Hi High (pH 8-9.5) 3.29 7.51 -3.39 2 2 0 29 266.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]aniline 4-[(1R)-1-(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) 3.29 9.39 -31.81 3 2 1 30 267.396 2 ↓
Hi High (pH 8-9.5) 3.29 7.66 -3.32 2 2 0 29 266.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]aniline 3-[(1S)-1-(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) 3.26 9.37 -32.75 3 2 1 30 267.396 2 ↓
Hi High (pH 8-9.5) 3.26 7.52 -3.36 2 2 0 29 266.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]aniline 3-[(1R)-1-(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) 3.26 9.37 -32.69 3 2 1 30 267.396 2 ↓
Hi High (pH 8-9.5) 3.26 7.5 -3.51 2 2 0 29 266.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-phenyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1R,2S)-1-phenyl-1-(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) 3.04 7.33 -46.7 3 2 1 31 281.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-phenyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1R,2R)-1-phenyl-1-(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) 3.04 8.13 -44.94 3 2 1 31 281.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-phenyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1S,2S)-1-phenyl-1-(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) 3.04 7.28 -43.82 3 2 1 31 281.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-phenyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1S,2R)-1-phenyl-1-(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) 3.04 8.16 -39.6 3 2 1 31 281.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.29 8.44 -46.02 3 2 1 31 301.841 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.29 8.37 -45.7 3 2 1 31 301.841 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.40 8.3 -40.49 3 2 1 31 346.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.40 8.24 -40.71 3 2 1 31 346.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.42 8.55 -46.12 3 2 1 31 346.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.42 8.47 -45.83 3 2 1 31 346.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.75 7.91 -41.47 3 2 1 31 285.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.75 7.8 -41.74 3 2 1 31 285.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)aniline 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) 3.33 9.28 -33.58 3 2 1 30 287.814 2 ↓
Hi High (pH 8-9.5) 3.33 7.3 -4.53 2 2 0 29 286.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 2.79 8.7 -117.47 4 2 2 32 268.404 3 ↓
Hi High (pH 8-9.5) 2.79 8.29 -36.57 3 2 1 30 267.396 3 ↓
Hi High (pH 8-9.5) 2.79 8.67 -37.32 3 2 1 31 267.396 3 ↓

Analogs

15778399
15778399

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 2.84 8.91 -93.82 4 2 2 32 268.404 3 ↓
Hi High (pH 8-9.5) 2.84 6.83 -46.22 3 2 1 31 267.396 3 ↓
Hi High (pH 8-9.5) 2.84 8.5 -36.7 3 2 1 30 267.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-phenyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-amine (3R)-3-phenyl-3-(1,3,4,5-tetrahy…

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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 7.43 -47.75 3 2 1 31 281.423 4 ↓
Lo Low (pH 4.5-6) 2.91 9.44 -112.2 4 2 2 32 282.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-phenyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-amine (3S)-3-phenyl-3-(1,3,4,5-tetrahy…

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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 7.65 -46.74 3 2 1 31 281.423 4 ↓
Lo Low (pH 4.5-6) 2.91 9.44 -114.32 4 2 2 32 282.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)phenyl]methanamine [3-(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) 2.81 8.9 -104.37 4 2 2 32 268.404 3 ↓
Hi High (pH 8-9.5) 2.81 8.49 -34.83 3 2 1 30 267.396 3 ↓
Hi High (pH 8-9.5) 2.81 6.82 -49.22 3 2 1 31 267.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 2.93 9.05 -96.01 4 2 2 32 286.394 3 ↓
Hi High (pH 8-9.5) 2.93 6.98 -49.7 3 2 1 31 285.386 3 ↓
Hi High (pH 8-9.5) 2.93 6.57 -4.99 2 2 0 29 284.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-fluoro-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)phenyl]methanamine [4-fluoro-3-(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) 2.93 9.02 -104.81 4 2 2 32 286.394 3 ↓
Hi High (pH 8-9.5) 2.93 8.61 -35.76 3 2 1 30 285.386 3 ↓
Hi High (pH 8-9.5) 2.93 6.9 -53.31 3 2 1 31 285.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzonitrile 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) 3.40 11.26 -48.14 1 2 1 28 263.364 2 ↓
Mid Mid (pH 6-8) 3.40 9.17 -6.35 0 2 0 27 262.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzonitrile 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) 3.36 11.15 -38.55 1 2 1 28 263.364 2 ↓
Hi High (pH 8-9.5) 3.36 9.22 -7.79 0 2 0 27 262.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzonitrile 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) 3.50 11.41 -46.91 1 2 1 28 281.354 2 ↓
Mid Mid (pH 6-8) 3.50 9.32 -7.63 0 2 0 27 280.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzonitrile 4-fluoro-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) 3.50 11.37 -42.7 1 2 1 28 281.354 2 ↓
Hi High (pH 8-9.5) 3.50 9.25 -6.48 0 2 0 27 280.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzonitrile 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) 3.38 11.26 -45.71 1 2 1 28 263.364 2 ↓
Hi High (pH 8-9.5) 3.38 9.17 -6.29 0 2 0 27 262.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-phenyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanenitrile (3R)-3-phenyl-3-(1,3,4,5-tetrahy…

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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) 3.29 9.85 -7.05 0 2 0 27 276.383 3 ↓
Mid Mid (pH 6-8) 3.29 11.63 -38.26 1 2 1 28 277.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-phenyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanenitrile (3S)-3-phenyl-3-(1,3,4,5-tetrahy…

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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) 3.29 9.77 -7.22 0 2 0 27 276.383 3 ↓
Mid Mid (pH 6-8) 3.29 11.64 -38.17 1 2 1 28 277.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzenecarbothioamide 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) 3.45 10.09 -53.94 3 2 1 30 297.447 3 ↓
Hi High (pH 8-9.5) 3.45 8.01 -13.66 2 2 0 29 296.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzenecarbothioamide 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) 3.40 9.35 -31.11 3 2 1 30 297.447 3 ↓
Hi High (pH 8-9.5) 3.40 8.8 -8.48 2 2 0 29 296.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzenecarbothioamide 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) 3.43 10.09 -44.54 3 2 1 30 297.447 3 ↓
Hi High (pH 8-9.5) 3.43 8 -12.89 2 2 0 29 296.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 1.99 8.16 -98.71 5 3 2 56 281.403 3 ↓
Hi High (pH 8-9.5) 1.99 6.44 -29.96 4 3 1 55 280.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)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) 2.04 8.74 -87.99 5 3 2 56 281.403 3 ↓
Hi High (pH 8-9.5) 2.04 6.65 -33.9 4 3 1 55 280.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)benzamidine 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) 2.01 8.62 -94.19 5 3 2 56 281.403 3 ↓
Hi High (pH 8-9.5) 2.01 6.53 -35.02 4 3 1 55 280.395 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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