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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: [(1R,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentyl]methanamine [(1R,2R)-2-(3,5-dihydro-2H-1,4-b…

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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) 1.68 4.29 -47.62 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.68 5.52 -113.5 4 3 2 41 248.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentyl]methanamine [(1R,2S)-2-(3,5-dihydro-2H-1,4-b…

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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) 1.68 3.9 -49.06 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.68 5.93 -110.95 4 3 2 41 248.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentyl]methanamine [1-(3,5-dihydro-2H-1,4-benzoxaze…

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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) 1.89 4.1 -45.72 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.89 5.8 -120.45 4 3 2 41 248.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanamine (1S,2R)-2-(3,5-dihydro-2H-1,4-be…

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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) 1.37 4.45 -41.01 3 3 1 40 233.335 1 ↓
Hi High (pH 8-9.5) 1.37 4.23 -2.89 2 3 0 38 232.327 1 ↓
Lo Low (pH 4.5-6) 1.37 5.71 -30.77 3 3 1 40 233.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanamine (1S,2S)-2-(3,5-dihydro-2H-1,4-be…

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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) 1.37 3.21 -47.49 3 3 1 40 233.335 1 ↓
Hi High (pH 8-9.5) 1.37 3.09 -3.94 2 3 0 38 232.327 1 ↓
Lo Low (pH 4.5-6) 1.37 5.12 -32.29 3 3 1 40 233.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanecarbonitrile (1S,2R)-2-(3,5-dihydro-2H-1,4-be…

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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) 2.66 6.49 -8.27 0 3 0 36 242.322 1 ↓
Lo Low (pH 4.5-6) 2.66 8.02 -38.4 1 3 1 37 243.33 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanecarbonitrile (1S,2S)-2-(3,5-dihydro-2H-1,4-be…

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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) 2.66 6.08 -7.78 0 3 0 36 242.322 1 ↓
Lo Low (pH 4.5-6) 2.66 8.3 -43.48 1 3 1 37 243.33 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanol (1S,2R)-2-(3,5-dihydro-2H-1,4-be…

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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) 1.86 5.08 -30.89 2 3 1 34 234.319 1 ↓
Hi High (pH 8-9.5) 1.86 3.27 -5.32 1 3 0 33 233.311 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanol (1S,2S)-2-(3,5-dihydro-2H-1,4-be…

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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) 1.86 4.87 -32.03 2 3 1 34 234.319 1 ↓
Hi High (pH 8-9.5) 1.86 2.84 -5.46 1 3 0 33 233.311 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanecarboxylic (1S,2R)-2-(3,5-dihydro-2H-1,4-be…

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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) 2.12 8.42 -28.34 1 4 0 54 261.321 2 ↓
Hi High (pH 8-9.5) 2.12 7.39 -47.08 0 4 -1 53 260.313 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanecarboxylic (1S,2S)-2-(3,5-dihydro-2H-1,4-be…

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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) 2.12 8.48 -41.37 1 4 0 54 261.321 2 ↓
Hi High (pH 8-9.5) 2.12 6.44 -49.02 0 4 -1 53 260.313 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 333234 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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