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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: (2R)-2-cyclohexyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2R)-2-cyclohexyl-2-(1,3,4,5-tet…

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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 8.59 -127.89 4 2 2 32 274.452 3 ↓
Mid Mid (pH 6-8) 3.33 7.03 -44.55 3 2 1 31 273.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.66 -127.94 4 2 2 32 274.452 3 ↓
Mid Mid (pH 6-8) 3.33 7.74 -50.77 3 2 1 31 273.444 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanecarbaldehyde 1-(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) 4.06 10.77 -40.68 1 2 1 22 272.412 3 ↓
Hi High (pH 8-9.5) 4.06 9.27 -5.96 0 2 0 20 271.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine N-methyl-1-[1-(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) 4.03 9.07 -41.81 2 2 1 20 287.471 4 ↓
Mid Mid (pH 6-8) 4.03 10.53 -109.3 3 2 2 21 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanamine [1-(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) 3.04 7.34 -44.96 3 2 1 31 273.444 3 ↓
Mid Mid (pH 6-8) 3.04 9.17 -114.14 4 2 2 32 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S,4R)-4-methyl-2-(1,3,4,5-t…

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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) 2.90 7.71 -40.36 3 2 1 31 273.444 2 ↓
Mid Mid (pH 6-8) 2.90 9.36 -119.27 4 2 2 32 274.452 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S,4S)-4-methyl-2-(1,3,4,5-t…

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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) 2.90 7.17 -48.36 3 2 1 31 273.444 2 ↓
Mid Mid (pH 6-8) 2.90 8.97 -121.88 4 2 2 32 274.452 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2S,4R)-4-methyl-2-(1,3,4,5-t…

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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) 2.90 7.4 -48.05 3 2 1 31 273.444 2 ↓
Mid Mid (pH 6-8) 2.90 9.2 -122.85 4 2 2 32 274.452 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2S,4S)-4-methyl-2-(1,3,4,5-t…

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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) 2.90 7.16 -48.17 3 2 1 31 273.444 2 ↓
Mid Mid (pH 6-8) 2.90 8.96 -122.54 4 2 2 32 274.452 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-N,4-dimethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S,4R)-N,4-dimethyl-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) 3.81 9.34 -39.65 2 2 1 20 287.471 3 ↓
Mid Mid (pH 6-8) 3.81 11.14 -112.91 3 2 2 21 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-N,4-dimethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S,4S)-N,4-dimethyl-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) 3.81 8.89 -42.79 2 2 1 20 287.471 3 ↓
Mid Mid (pH 6-8) 3.81 10.68 -116.06 3 2 2 21 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-N,4-dimethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2S,4R)-N,4-dimethyl-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) 3.81 9.19 -41.77 2 2 1 20 287.471 3 ↓
Mid Mid (pH 6-8) 3.81 10.91 -116.51 3 2 2 21 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-N,4-dimethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2S,4S)-N,4-dimethyl-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) 3.81 8.99 -41.88 2 2 1 20 287.471 3 ↓
Mid Mid (pH 6-8) 3.81 10.68 -160.29 3 2 0 21 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S,4R)-4-ethyl-2-(1,3,4,5-te…

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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) 3.59 8.36 -40.85 3 2 1 31 287.471 3 ↓
Mid Mid (pH 6-8) 3.59 10.02 -120.43 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S,4S)-4-ethyl-2-(1,3,4,5-te…

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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) 3.59 7.82 -48.5 3 2 1 31 287.471 3 ↓
Mid Mid (pH 6-8) 3.59 9.62 -122.77 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2S,4R)-4-ethyl-2-(1,3,4,5-te…

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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) 3.59 8.05 -48.18 3 2 1 31 287.471 3 ↓
Mid Mid (pH 6-8) 3.59 9.85 -123.66 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2S,4S)-4-ethyl-2-(1,3,4,5-te…

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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) 3.59 7.88 -48.2 3 2 1 31 287.471 3 ↓
Mid Mid (pH 6-8) 3.59 9.58 -124.15 4 2 2 32 288.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S)-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) 2.90 6.54 -47.62 3 2 1 31 259.417 2 ↓
Mid Mid (pH 6-8) 2.90 8.36 -119.52 4 2 2 32 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2R)-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) 2.90 6.91 -46.78 3 2 1 31 259.417 2 ↓
Mid Mid (pH 6-8) 2.90 8.6 -120.64 4 2 2 32 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2R)-N-methyl-2-(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) 3.81 8.73 -39.01 2 2 1 20 273.444 3 ↓
Mid Mid (pH 6-8) 3.81 10.51 -111.09 3 2 2 21 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2R)-N-methyl-2-(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) 3.81 8.6 -41.12 2 2 1 20 273.444 3 ↓
Mid Mid (pH 6-8) 3.81 10.31 -114.76 3 2 2 21 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2S)-N-methyl-2-(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) 3.81 8.53 -41.63 2 2 1 20 273.444 3 ↓
Mid Mid (pH 6-8) 3.81 10.31 -114.74 3 2 2 21 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S)-N-methyl-2-(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) 3.81 8.88 -34.7 2 2 1 20 273.444 3 ↓
Mid Mid (pH 6-8) 3.81 10.54 -111.14 3 2 2 21 274.452 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2R)-N-ethyl-2-(1,3,4,5-tetra…

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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) 4.18 9.56 -37.73 2 2 1 20 287.471 4 ↓
Mid Mid (pH 6-8) 4.18 11.33 -110.81 3 2 2 21 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2R)-N-ethyl-2-(1,3,4,5-tetra…

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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) 4.18 9.46 -39.68 2 2 1 20 287.471 4 ↓
Mid Mid (pH 6-8) 4.18 11.14 -114.09 3 2 2 21 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1R,2S)-N-ethyl-2-(1,3,4,5-tetra…

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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) 4.18 9.44 -39.71 2 2 1 20 287.471 4 ↓
Mid Mid (pH 6-8) 4.18 11.13 -114.01 3 2 2 21 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,2S)-N-ethyl-2-(1,3,4,5-tetra…

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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) 4.18 9.56 -37.73 2 2 1 20 287.471 4 ↓
Mid Mid (pH 6-8) 4.18 11.35 -110.69 3 2 2 21 288.479 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanecarboxylic 1-(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) 3.49 11.36 -39.43 1 3 0 45 287.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexyl]methanol [1-(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) 3.61 8.1 -32.72 2 2 1 25 274.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1S,2S)-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) 3.39 8.17 -34.33 2 2 1 25 260.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1S,2R)-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) 3.39 8.05 -32.76 2 2 1 25 260.401 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1S,2S,4R)-4-methyl-2-(1,3,4,5-t…

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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 8.79 -34.59 2 2 1 25 274.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1S,2S,4S)-4-methyl-2-(1,3,4,5-t…

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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 8.55 -34.49 2 2 1 25 274.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1R,2S,4R)-4-methyl-2-(1,3,4,5-t…

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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 9.21 -31.78 2 2 1 25 274.428 2 ↓

Analogs

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Popular Name: (1R,2S,4S)-4-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1R,2S,4S)-4-methyl-2-(1,3,4,5-t…

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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 8.97 -31.82 2 2 1 25 274.428 2 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1S,2S,4R)-4-ethyl-2-(1,3,4,5-te…

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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) 4.08 9.45 -34.65 2 2 1 25 288.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1S,2S,4S)-4-ethyl-2-(1,3,4,5-te…

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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) 4.08 9.59 -31.18 2 2 1 25 288.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1R,2S,4R)-4-ethyl-2-(1,3,4,5-te…

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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) 4.08 9.86 -31.94 2 2 1 25 288.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanol (1R,2S,4S)-4-ethyl-2-(1,3,4,5-te…

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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) 4.08 9.09 -37.87 2 2 1 25 288.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine 1-(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) 3.64 8.98 -32.3 3 2 1 30 259.417 2 ↓
Mid Mid (pH 6-8) 3.64 7.09 -40.65 3 2 1 31 259.417 2 ↓
Mid Mid (pH 6-8) 3.64 8.55 -123.08 4 2 2 32 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine 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) 2.43 8.74 -99.09 4 2 2 32 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,3R)-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) 2.66 8.56 -100.59 4 2 2 32 260.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclohexanamine (1S,3S)-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) 2.66 8.74 -107.4 4 2 2 32 260.425 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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