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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: (3R)-3-[[(5S)-8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]azepan-2-one (3R)-3-[[(5S)-8-bromo-2,3,4,5-te…

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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) 1.98 6.56 -43.42 3 4 1 55 354.268 2 ↓
Hi High (pH 8-9.5) 1.98 6.51 -9.3 2 4 0 50 353.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(5R)-8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]azepan-2-one (3R)-3-[[(5R)-8-bromo-2,3,4,5-te…

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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) 1.98 6.23 -37.2 3 4 1 55 354.268 2 ↓
Hi High (pH 8-9.5) 1.98 6.34 -7.18 2 4 0 50 353.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(5S)-8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]azepan-2-one (3S)-3-[[(5S)-8-bromo-2,3,4,5-te…

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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) 1.98 6.22 -37.21 3 4 1 55 354.268 2 ↓
Hi High (pH 8-9.5) 1.98 6.45 -7.29 2 4 0 50 353.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(5R)-8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]azepan-2-one (3S)-3-[[(5R)-8-bromo-2,3,4,5-te…

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Activity (Go SEA)

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) 1.98 6.56 -43.38 3 4 1 55 354.268 2 ↓
Hi High (pH 8-9.5) 1.98 6.3 -8.98 2 4 0 50 353.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(5S)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]azepan-2-one (3R)-3-[[(5S)-9-methyl-2,3,4,5-t…

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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) 1.59 6.64 -9.01 2 4 0 50 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(5R)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]azepan-2-one (3R)-3-[[(5R)-9-methyl-2,3,4,5-t…

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Activity (Go SEA)

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) 1.59 6.46 -6.92 2 4 0 50 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(5S)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]azepan-2-one (3S)-3-[[(5S)-9-methyl-2,3,4,5-t…

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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) 1.59 6.58 -7.88 2 4 0 50 288.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(5R)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]azepan-2-one (3S)-3-[[(5R)-9-methyl-2,3,4,5-t…

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Activity (Go SEA)

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) 1.59 6.44 -9.19 2 4 0 50 288.391 2 ↓

Parameters Provided:

ring.id = 556326
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 = 556326 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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