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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: methyl methyl

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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) 3.61 7.33 -10.71 1 5 0 59 355.415 2 ↓

Analogs

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Popular Name: 2-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetic 2-[7-(benzothiophen-3-yl)-9-hydr…

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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) 2.09 8.91 -35.17 2 5 0 74 355.415 3 ↓
Hi High (pH 8-9.5) 2.09 6.92 -48.38 1 5 -1 73 354.407 3 ↓

Analogs

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Popular Name: 1-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone 1-[7-(benzothiophen-3-yl)-9-hydr…

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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) 3.12 7.33 -12.57 1 4 0 50 339.416 1 ↓

Analogs

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Popular Name: 7-(benzothiophen-3-yl)-4-(2-methoxyethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 7-(benzothiophen-3-yl)-4-(2-meth…

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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) 3.74 8.07 -40.62 2 4 1 43 356.467 4 ↓
Mid Mid (pH 6-8) 3.74 5.9 -9.01 1 4 0 42 355.459 4 ↓

Analogs

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Popular Name: 5-amino-1-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pentan-1-one 5-amino-1-[7-(benzothiophen-3-yl…

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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) 2.93 7.17 -53.75 4 5 1 77 397.52 5 ↓

Analogs

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Popular Name: 4-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-oxo-butanamide 4-[7-(benzothiophen-3-yl)-9-hydr…

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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) 2.35 5.07 -13.88 3 6 0 93 396.468 4 ↓

Analogs

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Popular Name: (2R)-3-amino-1-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-hydroxy-pro (2R)-3-amino-1-[7-(benzothiophen…

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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) 1.24 3.19 -59.76 5 6 1 98 385.465 3 ↓
Hi High (pH 8-9.5) 1.24 3.92 -52.66 4 6 0 100 384.457 3 ↓
Hi High (pH 8-9.5) 1.24 2.75 -13.27 4 6 0 96 384.457 3 ↓

Analogs

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Popular Name: (2S)-3-amino-1-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-hydroxy-pro (2S)-3-amino-1-[7-(benzothiophen…

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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) 1.24 3.32 -61.53 5 6 1 98 385.465 3 ↓
Hi High (pH 8-9.5) 1.24 4.05 -53.38 4 6 0 100 384.457 3 ↓
Hi High (pH 8-9.5) 1.24 2.93 -12.64 4 6 0 96 384.457 3 ↓

Analogs

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Popular Name: N-[2-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]acetamide N-[2-[7-(benzothiophen-3-yl)-9-h…

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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 7.22 -52.26 3 5 1 63 383.493 4 ↓
Mid Mid (pH 6-8) 2.90 5.13 -14.83 2 5 0 62 382.485 4 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one (3S)-3-amino-1-[7-(benzothiophen…

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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) 3.78 6.44 -47.34 4 5 1 77 383.493 3 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[7-(benzothiophen-3-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butan-1-one (3R)-3-amino-1-[7-(benzothiophen…

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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) 3.78 6.44 -47.07 4 5 1 77 383.493 3 ↓

Parameters Provided:

ring.id = 539053
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 = 539053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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