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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: (2S)-2-(2-pyridyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2S)-2-(2-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) 1.47 6.21 -41.19 3 3 1 44 268.384 3 ↓
Hi High (pH 8-9.5) 1.47 5.37 -4.86 2 3 0 42 267.376 3 ↓
Lo Low (pH 4.5-6) 1.47 6.43 -107.74 4 3 2 45 269.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-pyridyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (2R)-2-(2-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) 1.47 6.3 -44.69 3 3 1 44 268.384 3 ↓
Hi High (pH 8-9.5) 1.47 5.49 -4.89 2 3 0 42 267.376 3 ↓
Lo Low (pH 4.5-6) 1.47 5.83 -110.83 4 3 2 45 269.392 3 ↓

Analogs

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Popular Name: (1S,2S)-1-(2-pyridyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1S,2S)-1-(2-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) 1.87 6.9 -45.63 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.87 6.58 -4.12 2 3 0 42 281.403 3 ↓
Lo Low (pH 4.5-6) 1.87 5.96 -114.71 4 3 2 45 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(2-pyridyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1S,2R)-1-(2-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) 1.87 6.74 -48.52 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.87 6.42 -4.07 2 3 0 42 281.403 3 ↓
Lo Low (pH 4.5-6) 1.87 6.72 -113.73 4 3 2 45 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(2-pyridyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1R,2S)-1-(2-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) 1.87 6.64 -46.61 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.87 6.32 -4.59 2 3 0 42 281.403 3 ↓
Lo Low (pH 4.5-6) 1.87 6.61 -103.76 4 3 2 45 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(2-pyridyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine (1R,2R)-1-(2-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) 1.87 6.83 -45.1 3 3 1 44 282.411 3 ↓
Hi High (pH 8-9.5) 1.87 6.6 -4.15 2 3 0 42 281.403 3 ↓
Lo Low (pH 4.5-6) 1.87 6.75 -115.04 4 3 2 45 283.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.52 10.22 -32.02 1 2 1 17 308.232 2 ↓
Hi High (pH 8-9.5) 4.52 8.16 -4.44 0 2 0 16 307.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine 5-chloro-6-(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) 3.32 8.55 -30.23 3 3 1 43 288.802 2 ↓
Hi High (pH 8-9.5) 3.32 6.48 -5.26 2 3 0 42 287.794 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-2-amine 5-chloro-N-methyl-6-(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) 3.69 9.53 -29.92 2 3 1 29 302.829 3 ↓
Mid Mid (pH 6-8) 3.69 7.44 -5.22 1 3 0 28 301.821 3 ↓
Mid Mid (pH 6-8) 3.69 7.81 -30.36 2 3 1 29 302.829 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-2-pyridyl]hydrazine [5-chloro-6-(1,3,4,5-tetrahydro-…

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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) 3.08 8.45 -30.7 4 4 1 55 303.817 3 ↓
Hi High (pH 8-9.5) 3.08 6.38 -6.01 3 4 0 54 302.809 3 ↓

Parameters Provided:

ring.id = 314387
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 = 314387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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