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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-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]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) 2.30 5.92 -27.9 3 3 1 43 254.357 2 ↓

Analogs

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Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridin-3-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) 2.29 7.06 -30.21 3 3 1 43 240.33 1 ↓

Analogs

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Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboxamidine 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) 1.50 5.92 -31.81 4 4 1 68 267.356 2 ↓
Mid Mid (pH 6-8) 1.50 6.38 -99.76 5 4 2 69 268.364 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methanol [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) 2.46 5.81 -30.73 2 3 1 38 255.341 2 ↓

Analogs

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Popular Name: 2-[2-(chloromethyl)-4-pyridyl]-1,3,4,5-tetrahydro-2-benzazepine 2-[2-(chloromethyl)-4-pyridyl]-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) 3.69 9.57 -31.62 1 2 1 17 273.787 2 ↓
Hi High (pH 8-9.5) 3.69 9.13 -6.33 0 2 0 16 272.779 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methanamine N-methyl-1-[4-(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) 2.68 8.21 -103.36 3 3 2 34 269.392 3 ↓
Mid Mid (pH 6-8) 2.68 6.76 -28.05 2 3 1 29 268.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridyl]methyl]ethanamine N-[[4-(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) 3.05 9.07 -103.87 3 3 2 34 283.419 4 ↓
Mid Mid (pH 6-8) 3.05 7.7 -28.06 2 3 1 29 282.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carbonitrile 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) 2.87 8.24 -8.24 0 3 0 40 249.317 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carbothioamide 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) 2.92 7.6 -42.31 3 3 1 43 284.408 2 ↓

Parameters Provided:

ring.id = 314353
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 = 314353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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