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Popular Name: (2R)-2-cyclopentyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamine (2R)-2-cyclopentyl-2-(3,5-dihydr…

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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) 2.19 5.16 -49.18 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 2.19 6.19 -129.27 4 3 2 41 262.397 3 ↓

Analogs

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Popular Name: (2S)-2-cyclopentyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamine (2S)-2-cyclopentyl-2-(3,5-dihydr…

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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) 2.19 4.65 -47.54 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 2.19 6.31 -130.12 4 3 2 41 262.397 3 ↓

Analogs

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Popular Name: 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopentanecarbaldehyde 1-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.91 8.43 -40.68 1 3 1 31 260.357 3 ↓
Mid Mid (pH 6-8) 2.91 6.95 -7.26 0 3 0 30 259.349 3 ↓

Analogs

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Popular Name: 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopentanamine 1-(3,5-dihydro-2H-1,4-benzoxazep…

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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 4.73 -40.4 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 2.49 6.27 -120.55 4 3 2 41 248.37 2 ↓

Analogs

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Popular Name: 1-[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopentyl]-N-methyl-methanamine 1-[1-(3,5-dihydro-2H-1,4-benzoxa…

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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) 2.88 7.43 -39.7 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 2.88 8.76 -106.83 3 3 2 30 276.424 4 ↓

Analogs

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Popular Name: N-[[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopentyl]methyl]ethanamine N-[[1-(3,5-dihydro-2H-1,4-benzox…

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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) 2.90 8.3 -38.34 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 2.90 9.59 -107.44 3 3 2 30 290.451 5 ↓

Analogs

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Popular Name: [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)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) 1.90 5.45 -45.16 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 1.90 6.77 -113.56 4 3 2 41 262.397 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethyl-cyclopentanamine (1R,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) 3.04 7.08 -41.51 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 3.04 9.09 -114.46 3 3 2 30 276.424 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethyl-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) 3.04 6.82 -42.12 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 3.04 8.74 -109.64 3 3 2 30 276.424 4 ↓

Analogs

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Popular Name: (1R,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethyl-cyclopentanamine (1R,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) 3.04 6.69 -41.2 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 3.04 8.75 -110.43 3 3 2 30 276.424 4 ↓

Analogs

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Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethyl-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) 3.04 7.08 -41.52 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 3.04 9.08 -114.49 3 3 2 30 276.424 4 ↓

Analogs

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Popular Name: (1R,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propyl-cyclopentanamine (1R,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) 3.54 7.84 -42.4 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 3.54 9.85 -116.84 3 3 2 30 290.451 5 ↓

Analogs

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Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propyl-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) 3.54 7.46 -41.89 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 3.54 9.47 -110.39 3 3 2 30 290.451 5 ↓

Analogs

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Popular Name: (1R,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propyl-cyclopentanamine (1R,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) 3.54 7.54 -43.32 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 3.54 9.54 -113.38 3 3 2 30 290.451 5 ↓

Analogs

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Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-propyl-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) 3.54 7.96 -42.55 2 3 1 29 289.443 5 ↓
Lo Low (pH 4.5-6) 3.54 9.89 -116.44 3 3 2 30 290.451 5 ↓

Analogs

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Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)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) 1.75 4.34 -48.47 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.75 6.33 -121.16 4 3 2 41 248.37 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)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) 1.75 4.36 -47.64 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.75 6.16 -113.6 4 3 2 41 248.37 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-cyclopentanamine (1R,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 6.25 -42.87 2 3 1 29 261.389 3 ↓
Lo Low (pH 4.5-6) 2.66 8.25 -115.22 3 3 2 30 262.397 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-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) 2.66 5.87 -42.26 2 3 1 29 261.389 3 ↓
Lo Low (pH 4.5-6) 2.66 7.87 -108.41 3 3 2 30 262.397 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-cyclopentanamine (1R,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 5.94 -43.72 2 3 1 29 261.389 3 ↓
Lo Low (pH 4.5-6) 2.66 7.94 -111.53 3 3 2 30 262.397 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methyl-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) 2.66 6.25 -42.86 2 3 1 29 261.389 3 ↓
Lo Low (pH 4.5-6) 2.66 8.26 -115.26 3 3 2 30 262.397 3 ↓

Analogs

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Popular Name: 1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopentanecarboxylic 1-(3,5-dihydro-2H-1,4-benzoxazep…

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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) 2.34 8.24 -38.6 1 4 0 54 275.348 3 ↓
Hi High (pH 8-9.5) 2.34 6.29 -51.22 0 4 -1 53 274.34 3 ↓

Analogs

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Popular Name: [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopentyl]methanol [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) 2.46 6.05 -37.35 2 3 1 34 262.373 3 ↓
Hi High (pH 8-9.5) 2.46 4.63 -4.63 1 3 0 33 261.365 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)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) 2.24 5.71 -33 2 3 1 34 248.346 2 ↓
Hi High (pH 8-9.5) 2.24 3.72 -5.04 1 3 0 33 247.338 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)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) 2.24 5.55 -36.21 2 3 1 34 248.346 2 ↓
Hi High (pH 8-9.5) 2.24 3.52 -5.27 1 3 0 33 247.338 2 ↓

Parameters Provided:

ring.id = 333248
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 333248 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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