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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-(3-pyridyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2R)-2-(3-pyridyl)-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) 1.40 6.01 -45.28 3 3 1 44 268.384 3 ↓
Hi High (pH 8-9.5) 1.40 4.71 -5.4 2 3 0 42 267.376 3 ↓
Lo Low (pH 4.5-6) 1.40 6.57 -106.1 4 3 2 45 269.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-pyridyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2S)-2-(3-pyridyl)-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) 1.40 5.91 -44.86 3 3 1 44 268.384 3 ↓
Hi High (pH 8-9.5) 1.40 4.86 -5.94 2 3 0 42 267.376 3 ↓
Lo Low (pH 4.5-6) 1.40 6.46 -105.83 4 3 2 45 269.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.80 5.48 -52.18 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.80 5.19 -5.62 2 3 0 42 281.403 3 ↓
Lo Low (pH 4.5-6) 1.80 5.88 -115.03 4 3 2 45 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.80 5.67 -54.72 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.80 5.99 -3.78 2 3 0 42 281.403 3 ↓
Lo Low (pH 4.5-6) 1.80 6.57 -105.2 4 3 2 45 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.80 5.51 -47.8 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.80 6.01 -4.52 2 3 0 42 281.403 3 ↓
Lo Low (pH 4.5-6) 1.80 6.8 -103.78 4 3 2 45 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.80 6.24 -41.84 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.80 5.55 -4.35 2 3 0 42 281.403 3 ↓
Lo Low (pH 4.5-6) 1.80 6.78 -103.11 4 3 2 45 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-2-pyridyl]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) 2.00 6.83 -118.13 4 3 2 45 269.392 3 ↓
Hi High (pH 8-9.5) 2.00 5.52 -5.94 2 3 0 42 267.376 3 ↓
Hi High (pH 8-9.5) 2.00 6.03 -35.66 3 3 1 44 268.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-chloro-3-pyridyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[(6-chloro-3-pyridyl)methyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 9.44 -45.04 1 2 1 17 273.787 2 ↓
Hi High (pH 8-9.5) 3.43 7.36 -5.6 0 2 0 16 272.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-3-pyridyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[(2-chloro-3-pyridyl)methyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 9.56 -38.85 1 2 1 17 273.787 2 ↓
Hi High (pH 8-9.5) 3.38 7.48 -6.96 0 2 0 16 272.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridine-2-carbonitrile 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) 2.57 9.29 -43.34 1 3 1 41 264.352 2 ↓
Hi High (pH 8-9.5) 2.57 7.3 -10.74 0 3 0 40 263.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridine-2-carbothioamide 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) 2.62 7.61 -32.56 3 3 1 43 298.435 3 ↓
Hi High (pH 8-9.5) 2.62 7.1 -7.81 2 3 0 42 297.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridine-2-carboxamidine 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) 1.20 6.45 -101.54 5 4 2 69 282.391 3 ↓
Hi High (pH 8-9.5) 1.20 4.73 -30.27 4 4 1 68 281.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine 5-(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) 2.24 7.75 -38.61 3 3 1 43 254.357 2 ↓
Mid Mid (pH 6-8) 2.24 6.15 -32.46 3 3 1 43 254.357 2 ↓
Mid Mid (pH 6-8) 2.24 5.66 -5.49 2 3 0 42 253.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine N-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) 2.61 8.74 -39.26 2 3 1 29 268.384 3 ↓
Mid Mid (pH 6-8) 2.61 7.15 -29.98 2 3 1 29 268.384 3 ↓
Mid Mid (pH 6-8) 2.61 6.68 -5.99 1 3 0 28 267.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine N-ethyl-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) 2.99 9.55 -38.97 2 3 1 29 282.411 4 ↓
Mid Mid (pH 6-8) 2.99 7.95 -29.68 2 3 1 29 282.411 4 ↓
Mid Mid (pH 6-8) 2.99 7.48 -5.66 1 3 0 28 281.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine 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) 2.19 8.04 -39.3 3 3 1 43 254.357 2 ↓
Mid Mid (pH 6-8) 2.19 6.34 -31.03 3 3 1 43 254.357 2 ↓
Mid Mid (pH 6-8) 2.19 5.87 -5.5 2 3 0 42 253.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine N-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) 2.56 9.41 -39.45 2 3 1 29 268.384 3 ↓
Hi High (pH 8-9.5) 2.56 7.24 -6 1 3 0 28 267.376 3 ↓
Mid Mid (pH 6-8) 2.56 9.79 -96.28 3 3 2 31 269.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine N-ethyl-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) 2.94 10.24 -39.05 2 3 1 29 282.411 4 ↓
Hi High (pH 8-9.5) 2.94 8.07 -5.76 1 3 0 28 281.403 4 ↓
Mid Mid (pH 6-8) 2.94 10.61 -96.31 3 3 2 31 283.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-2-pyridyl]hydrazine [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) 1.95 7.93 -41.79 4 4 1 55 269.372 3 ↓
Hi High (pH 8-9.5) 1.95 6.03 -6.25 3 4 0 54 268.364 3 ↓
Lo Low (pH 4.5-6) 1.95 8.43 -98.34 5 4 2 57 270.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-2-pyridyl]hydrazine [5-(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) 2.00 7.66 -39.72 4 4 1 55 269.372 3 ↓
Hi High (pH 8-9.5) 2.00 5.57 -6.41 3 4 0 54 268.364 3 ↓
Lo Low (pH 4.5-6) 2.00 8.14 -100.09 5 4 2 57 270.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridine-2-carboxylic 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) 2.39 9.79 -45.35 1 4 0 57 282.343 3 ↓
Hi High (pH 8-9.5) 2.39 8.3 -55.68 0 4 -1 56 281.335 3 ↓
Lo Low (pH 4.5-6) 2.39 10.19 -60.45 2 4 1 59 283.351 3 ↓

Parameters Provided:

ring.id = 314441
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 314441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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