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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-piperidyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2S)-2-piperidyl]-(1,3,4,5-tetr…

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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) 2.25 7.42 -37.24 2 3 1 37 259.373 1 ↓
Mid Mid (pH 6-8) 2.25 6.18 -9.13 1 3 0 32 258.365 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.25 7.36 -38.64 2 3 1 37 259.373 1 ↓
Mid Mid (pH 6-8) 2.25 6.03 -8.1 1 3 0 32 258.365 1 ↓

Analogs

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Popular Name: [(2R,6R)-6-methyl-2-piperidyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2R,6R)-6-methyl-2-piperidyl]-(…

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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) 2.58 8.1 -35.41 2 3 1 37 273.4 1 ↓
Hi High (pH 8-9.5) 2.58 6.92 -9.08 1 3 0 32 272.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6S)-6-methyl-2-piperidyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2R,6S)-6-methyl-2-piperidyl]-(…

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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) 2.58 7.84 -41.84 2 3 1 37 273.4 1 ↓
Hi High (pH 8-9.5) 2.58 6.54 -9.16 1 3 0 32 272.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-6-methyl-2-piperidyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2S,6R)-6-methyl-2-piperidyl]-(…

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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) 2.58 7.79 -38.34 2 3 1 37 273.4 1 ↓
Hi High (pH 8-9.5) 2.58 6.38 -6.68 1 3 0 32 272.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-6-methyl-2-piperidyl]-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone [(2S,6S)-6-methyl-2-piperidyl]-(…

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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) 2.58 8.03 -36.68 2 3 1 37 273.4 1 ↓
Hi High (pH 8-9.5) 2.58 6.77 -7.94 1 3 0 32 272.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.49 7.56 -39.73 2 3 1 37 273.4 1 ↓
Hi High (pH 8-9.5) 2.49 6.2 -6.01 1 3 0 32 272.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.49 7.76 -37 2 3 1 37 273.4 1 ↓
Hi High (pH 8-9.5) 2.49 6.49 -7.78 1 3 0 32 272.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.49 8.12 -37.21 2 3 1 37 273.4 1 ↓
Hi High (pH 8-9.5) 2.49 6.86 -9.46 1 3 0 32 272.392 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.49 7.48 -44.52 2 3 1 37 273.4 1 ↓
Hi High (pH 8-9.5) 2.49 6.14 -6.55 1 3 0 32 272.392 1 ↓

Parameters Provided:

ring.id = 315248
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 = 315248 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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