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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2R)-2-cyclopentyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2R)-2-cyclopentyl-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) 2.83 7.92 -125.54 4 2 2 32 260.425 3 ↓
Mid Mid (pH 6-8) 2.83 6.53 -42.79 3 2 1 31 259.417 3 ↓

Analogs

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Popular Name: (2S)-2-cyclopentyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2S)-2-cyclopentyl-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) 2.83 8.04 -126.1 4 2 2 32 260.425 3 ↓
Mid Mid (pH 6-8) 2.83 6.4 -42.94 3 2 1 31 259.417 3 ↓

Analogs

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Popular Name: 1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanecarbaldehyde 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) 3.56 10.21 -41.97 1 2 1 22 258.385 3 ↓
Hi High (pH 8-9.5) 3.56 8.77 -7.11 0 2 0 20 257.377 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentyl]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) 3.52 9.25 -35.39 2 2 1 20 273.444 4 ↓
Mid Mid (pH 6-8) 3.52 10.57 -104.16 3 2 2 21 274.452 4 ↓

Analogs

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Popular Name: N-[[1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentyl]methyl]ethanamine N-[[1-(1,3,4,5-tetrahydro-2-benz…

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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) 3.54 10.1 -34.18 2 2 1 20 287.471 5 ↓
Mid Mid (pH 6-8) 3.54 11.42 -104.84 3 2 2 21 288.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentyl]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) 2.54 7.24 -40.59 3 2 1 31 259.417 3 ↓
Mid Mid (pH 6-8) 2.54 8.58 -109.5 4 2 2 32 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 3.68 8.87 -39.61 2 2 1 20 273.444 4 ↓
Mid Mid (pH 6-8) 3.68 10.86 -113.77 3 2 2 21 274.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 3.68 8.56 -38.82 2 2 1 20 273.444 4 ↓
Mid Mid (pH 6-8) 3.68 10.49 -107.93 3 2 2 21 274.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 3.68 8.52 -39.29 2 2 1 20 273.444 4 ↓
Mid Mid (pH 6-8) 3.68 10.52 -110.09 3 2 2 21 274.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 3.68 8.92 -39.74 2 2 1 20 273.444 4 ↓
Mid Mid (pH 6-8) 3.68 10.85 -114.1 3 2 2 21 274.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (1R,2R)-N-propyl-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) 4.18 9.68 -40.64 2 2 1 20 287.471 5 ↓
Mid Mid (pH 6-8) 4.18 11.62 -116.47 3 2 2 21 288.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (1S,2R)-N-propyl-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) 4.18 9.31 -39.72 2 2 1 20 287.471 5 ↓
Mid Mid (pH 6-8) 4.18 11.25 -109.97 3 2 2 21 288.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (1R,2S)-N-propyl-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) 4.18 9.23 -41.18 2 2 1 20 287.471 5 ↓
Mid Mid (pH 6-8) 4.18 11.28 -112.9 3 2 2 21 288.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-propyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (1S,2S)-N-propyl-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) 4.18 9.68 -40.65 2 2 1 20 287.471 5 ↓
Mid Mid (pH 6-8) 4.18 11.62 -116.46 3 2 2 21 288.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 2.39 6.1 -46.51 3 2 1 31 245.39 2 ↓
Mid Mid (pH 6-8) 2.39 8.11 -120.29 4 2 2 32 246.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 2.39 6.14 -46.95 3 2 1 31 245.39 2 ↓
Mid Mid (pH 6-8) 2.39 7.96 -114.28 4 2 2 32 246.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 3.30 8.07 -41.15 2 2 1 20 259.417 3 ↓
Mid Mid (pH 6-8) 3.30 10.01 -115.01 3 2 2 21 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 3.30 7.72 -40.16 2 2 1 20 259.417 3 ↓
Mid Mid (pH 6-8) 3.30 9.64 -107.99 3 2 2 21 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 3.30 7.63 -41.71 2 2 1 20 259.417 3 ↓
Mid Mid (pH 6-8) 3.30 9.68 -111.01 3 2 2 21 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine (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) 3.30 8.03 -41.01 2 2 1 20 259.417 3 ↓
Mid Mid (pH 6-8) 3.30 10.02 -114.5 3 2 2 21 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanecarboxylic 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) 2.98 10.89 -41.09 1 3 0 45 273.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentyl]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) 3.10 7.9 -37.55 2 2 1 25 260.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanol (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) 2.88 7.5 -31.83 2 2 1 25 246.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanol (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) 2.88 7.32 -34.71 2 2 1 25 246.374 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentanamine 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) 3.13 7.64 -116.9 4 2 2 32 246.398 2 ↓
Mid Mid (pH 6-8) 3.13 5.64 -43.36 3 2 1 31 245.39 2 ↓

Parameters Provided:

ring.id = 314502
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 314502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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