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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: (5S)-N-[(3R)-1,1-dioxothian-3-yl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-N-[(3R)-1,1-dioxothian-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) 1.38 5.38 -51.87 2 4 1 60 310.439 2 ↓
Hi High (pH 8-9.5) 1.38 4.62 -11.97 1 4 0 55 309.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(3R)-1,1-dioxothian-3-yl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-N-[(3R)-1,1-dioxothian-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) 1.38 5.39 -49.03 2 4 1 60 310.439 2 ↓
Hi High (pH 8-9.5) 1.38 4.34 -10.94 1 4 0 55 309.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(3S)-1,1-dioxothian-3-yl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-N-[(3S)-1,1-dioxothian-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) 1.38 5.42 -49.09 2 4 1 60 310.439 2 ↓
Hi High (pH 8-9.5) 1.38 4.41 -10.21 1 4 0 55 309.431 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(3S)-1,1-dioxothian-3-yl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-N-[(3S)-1,1-dioxothian-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) 1.38 5.36 -51.86 2 4 1 60 310.439 2 ↓
Hi High (pH 8-9.5) 1.38 4.55 -14.32 1 4 0 55 309.431 2 ↓

Analogs

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Popular Name: (5S)-8-bromo-N-[(3R)-1,1-dioxothian-3-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-8-bromo-N-[(3R)-1,1-dioxoth…

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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) 1.76 5.23 -56.69 2 4 1 60 375.308 2 ↓
Mid Mid (pH 6-8) 1.76 4.47 -12.35 1 4 0 55 374.3 2 ↓

Analogs

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Popular Name: (5R)-8-bromo-N-[(3R)-1,1-dioxothian-3-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-8-bromo-N-[(3R)-1,1-dioxoth…

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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) 1.76 5.28 -53.12 2 4 1 60 375.308 2 ↓
Mid Mid (pH 6-8) 1.76 4.2 -11.22 1 4 0 55 374.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-8-bromo-N-[(3S)-1,1-dioxothian-3-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5S)-8-bromo-N-[(3S)-1,1-dioxoth…

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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) 1.76 5.27 -53.17 2 4 1 60 375.308 2 ↓
Mid Mid (pH 6-8) 1.76 4.26 -10.36 1 4 0 55 374.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-8-bromo-N-[(3S)-1,1-dioxothian-3-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (5R)-8-bromo-N-[(3S)-1,1-dioxoth…

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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) 1.76 5.24 -56.68 2 4 1 60 375.308 2 ↓
Mid Mid (pH 6-8) 1.76 4.43 -14.93 1 4 0 55 374.3 2 ↓

Parameters Provided:

ring.id = 289586
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 = 289586 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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