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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-(4-pyridyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2R)-2-(4-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) 1.35 6.12 -47.4 3 3 1 44 268.384 3 ↓
Hi High (pH 8-9.5) 1.35 4.9 -5.25 2 3 0 42 267.376 3 ↓

Analogs

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Popular Name: (2S)-2-(4-pyridyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2S)-2-(4-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) 1.35 5.09 -51.18 3 3 1 44 268.384 3 ↓
Hi High (pH 8-9.5) 1.35 4.9 -4.72 2 3 0 42 267.376 3 ↓

Analogs

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Popular Name: (1R,2S)-1-(4-pyridyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1R,2S)-1-(4-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) 1.75 5.48 -51.28 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.75 5.2 -4.9 2 3 0 42 281.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(4-pyridyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1R,2R)-1-(4-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) 1.75 6.35 -49.39 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.75 6.01 -3.2 2 3 0 42 281.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(4-pyridyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1S,2S)-1-(4-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) 1.75 6.33 -49.39 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.75 6 -3.8 2 3 0 42 281.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(4-pyridyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1S,2R)-1-(4-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) 1.75 6.35 -44.1 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.75 5.66 -3.79 2 3 0 42 281.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-pyridyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[(2-chloro-4-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 9.54 -45.19 1 2 1 17 273.787 2 ↓
Hi High (pH 8-9.5) 3.38 7.44 -5.74 0 2 0 16 272.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine 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) 2.19 7.86 -40.54 3 3 1 43 254.357 2 ↓
Hi High (pH 8-9.5) 2.19 5.77 -5.7 2 3 0 42 253.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine N-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) 2.56 8.76 -40.55 2 3 1 29 268.384 3 ↓
Hi High (pH 8-9.5) 2.56 6.69 -5.88 1 3 0 28 267.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine N-ethyl-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 9.56 -40.37 2 3 1 29 282.411 4 ↓
Hi High (pH 8-9.5) 2.94 7.49 -5.49 1 3 0 28 281.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-2-pyridyl]hydrazine [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) 1.95 7.76 -42.37 4 4 1 55 269.372 3 ↓
Hi High (pH 8-9.5) 1.95 5.67 -6.76 3 4 0 54 268.364 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 314452 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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