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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2R)-1-(cyclopropylamino)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(3,5…

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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) 1.12 2.54 -41.37 3 4 1 49 263.361 5 ↓
Lo Low (pH 4.5-6) 1.12 4.67 -107.39 4 4 2 51 264.369 5 ↓

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(3,5…

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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) 1.12 2.51 -41.38 3 4 1 49 263.361 5 ↓
Lo Low (pH 4.5-6) 1.12 4.7 -107.39 4 4 2 51 264.369 5 ↓

Analogs

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Popular Name: N-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propyl]cyclopropanamine N-[3-(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) 2.03 5.71 -40.24 2 3 1 29 247.362 5 ↓
Lo Low (pH 4.5-6) 2.03 7.79 -106.87 3 3 2 30 248.37 5 ↓

Analogs

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

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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) 1.80 7.02 -46.33 2 4 1 49 272.372 5 ↓
Mid Mid (pH 6-8) 1.80 4.94 -7.8 1 4 0 48 271.364 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanenitrile (2R)-2-(cyclopropylamino)-4-(3,5…

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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) 1.80 6.93 -52.2 2 4 1 49 272.372 5 ↓
Mid Mid (pH 6-8) 1.80 4.84 -9.7 1 4 0 48 271.364 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-butanenitrile (2R)-2-(cyclopropylamino)-4-(3,5…

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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) 2.25 6.85 -45.47 2 4 1 49 286.399 5 ↓
Mid Mid (pH 6-8) 2.25 4.76 -9.38 1 4 0 48 285.391 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-butanenitrile (2S)-2-(cyclopropylamino)-4-(3,5…

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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) 2.25 6.82 -43.2 2 4 1 49 286.399 5 ↓
Mid Mid (pH 6-8) 2.25 4.73 -7.35 1 4 0 48 285.391 5 ↓

Analogs

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

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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) 1.31 3.55 -45.58 4 5 1 69 290.387 6 ↓
Hi High (pH 8-9.5) 1.31 1.47 -9.02 3 5 0 68 289.379 6 ↓
Lo Low (pH 4.5-6) 1.31 2.38 -43.07 4 5 1 72 290.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanamide (2R)-2-(cyclopropylamino)-4-(3,5…

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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) 1.31 3.5 -52.15 4 5 1 69 290.387 6 ↓
Hi High (pH 8-9.5) 1.31 1.41 -11.96 3 5 0 68 289.379 6 ↓
Lo Low (pH 4.5-6) 1.31 2.39 -43.75 4 5 1 72 290.387 6 ↓

Analogs

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

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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) -0.19 6.33 -37.46 2 5 0 69 290.363 6 ↓
Lo Low (pH 4.5-6) -0.19 8.41 -84.84 3 5 1 70 291.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanoic (2R)-2-(cyclopropylamino)-4-(3,5…

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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) -0.19 6.23 -36.14 2 5 0 69 290.363 6 ↓
Lo Low (pH 4.5-6) -0.19 8.29 -82.73 3 5 1 70 291.371 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-methyl-butyl]cyclopropanamine N-[(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) 3.25 7.8 -39.65 2 3 1 29 289.443 6 ↓
Lo Low (pH 4.5-6) 3.25 9.91 -105.97 3 3 2 30 290.451 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-methyl-butyl]cyclopropanamine N-[(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) 3.25 7.92 -39.66 2 3 1 29 289.443 6 ↓
Lo Low (pH 4.5-6) 3.25 9.38 -101.7 3 3 2 30 290.451 6 ↓

Analogs

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Popular Name: N-[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethyl-propyl]cyclopropanamine N-[3-(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) 2.92 7.43 -36.67 2 3 1 29 275.416 5 ↓
Lo Low (pH 4.5-6) 2.92 9.44 -102.1 3 3 2 30 276.424 5 ↓

Analogs

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Popular Name: N-[(3S)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butyl]cyclopropanamine N-[(3S)-3-(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) 2.36 6.48 -40.32 2 3 1 29 261.389 5 ↓
Lo Low (pH 4.5-6) 2.36 8.13 -108.43 3 3 2 30 262.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butyl]cyclopropanamine N-[(3R)-3-(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) 2.36 6.55 -40.18 2 3 1 29 261.389 5 ↓
Lo Low (pH 4.5-6) 2.36 8.14 -108.67 3 3 2 30 262.397 5 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-butan-1-ol (2R)-2-(cyclopropylamino)-4-(3,5…

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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) 1.83 3.14 -35.58 3 4 1 49 291.415 6 ↓
Lo Low (pH 4.5-6) 1.83 5.24 -100.38 4 4 2 51 292.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-butan-1-ol (2S)-2-(cyclopropylamino)-4-(3,5…

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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) 1.83 3.17 -35.83 3 4 1 49 291.415 6 ↓
Lo Low (pH 4.5-6) 1.83 5.27 -100.94 4 4 2 51 292.423 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-ol (2S)-2-(cyclopropylamino)-4-(3,5…

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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) 1.39 5.16 -107.97 4 4 2 51 278.396 6 ↓
Mid Mid (pH 6-8) 1.39 3.08 -37.85 3 4 1 49 277.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butan-1-ol (2R)-2-(cyclopropylamino)-4-(3,5…

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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) 1.39 5.16 -108.24 4 4 2 51 278.396 6 ↓
Mid Mid (pH 6-8) 1.39 3.09 -38.33 3 4 1 49 277.388 6 ↓

Parameters Provided:

ring.id = 333274
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 = 333274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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