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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: [(5R)-9-fluoro-5-morpholino-3,4-dihydro-2H-1-benzoxepin-5-yl]methanamine [(5R)-9-fluoro-5-morpholino-3,4-…

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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) 1.17 2.71 -52.46 3 4 1 49 281.351 2 ↓
Hi High (pH 8-9.5) 1.17 2.39 -5.93 2 4 0 48 280.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-9-fluoro-5-morpholino-3,4-dihydro-2H-1-benzoxepin-5-yl]methanamine [(5S)-9-fluoro-5-morpholino-3,4-…

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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) 1.17 2.8 -51.56 3 4 1 49 281.351 2 ↓
Hi High (pH 8-9.5) 1.17 0.55 -7.32 2 4 0 48 280.343 2 ↓

Analogs

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Popular Name: [(5S)-7-fluoro-5-morpholino-3,4-dihydro-2H-1-benzoxepin-5-yl]methanamine [(5S)-7-fluoro-5-morpholino-3,4-…

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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) 1.20 2.77 -45.32 3 4 1 49 281.351 2 ↓
Hi High (pH 8-9.5) 1.20 0.54 -4.92 2 4 0 48 280.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-7-fluoro-5-morpholino-3,4-dihydro-2H-1-benzoxepin-5-yl]methanamine [(5R)-7-fluoro-5-morpholino-3,4-…

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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) 1.20 2.69 -47.46 3 4 1 49 281.351 2 ↓
Hi High (pH 8-9.5) 1.20 2.38 -4.32 2 4 0 48 280.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-8-fluoro-5-morpholino-3,4-dihydro-2H-1-benzoxepin-5-yl]methanamine [(5R)-8-fluoro-5-morpholino-3,4-…

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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) 1.20 2.7 -51.08 3 4 1 49 281.351 2 ↓
Hi High (pH 8-9.5) 1.20 1.95 -3.96 2 4 0 48 280.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-8-fluoro-5-morpholino-3,4-dihydro-2H-1-benzoxepin-5-yl]methanamine [(5S)-8-fluoro-5-morpholino-3,4-…

Find On: PubMed — Wikipedia — Google

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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) 1.20 2.84 -49.75 3 4 1 49 281.351 2 ↓
Hi High (pH 8-9.5) 1.20 2.48 -3.94 2 4 0 48 280.343 2 ↓

Parameters Provided:

ring.id = 263076
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 = 263076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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