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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: [1-(aminomethyl)cyclohexyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [1-(aminomethyl)cyclohexyl]-(1,3…

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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) 2.37 6.89 -46.64 3 3 1 48 287.427 2 ↓
Hi High (pH 8-9.5) 2.37 7.06 -8.08 2 3 0 46 286.419 2 ↓

Analogs

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Popular Name: [(1R,3S)-3-aminocyclohexyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(1R,3S)-3-aminocyclohexyl]-(1,3…

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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) 1.99 6.88 -47.49 3 3 1 48 273.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S)-3-aminocyclohexyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(1S,3S)-3-aminocyclohexyl]-(1,3…

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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) 1.99 6.58 -40.44 3 3 1 48 273.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R)-3-aminocyclohexyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(1R,3R)-3-aminocyclohexyl]-(1,3…

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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) 1.99 6.64 -40.43 3 3 1 48 273.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3R)-3-aminocyclohexyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(1S,3R)-3-aminocyclohexyl]-(1,3…

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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) 1.99 6.83 -48.84 3 3 1 48 273.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-aminocyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (4-aminocyclohexyl)-(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) 1.75 6.61 -40.58 3 3 1 48 273.4 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-aminocyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (1-aminocyclohexyl)-(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) 2.96 6.62 -52.4 3 3 1 48 273.4 1 ↓
Mid Mid (pH 6-8) 2.96 7.63 -9.76 2 3 0 46 272.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclohexanecarbonitrile 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) 3.35 8.99 -6.94 0 3 0 44 282.387 1 ↓

Parameters Provided:

ring.id = 314823
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 = 314823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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