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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: (Z)-3-(4-nitrophenyl)-1-thiomorpholino-prop-2-en-1-one (Z)-3-(4-nitrophenyl)-1-thiomorp…

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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 8.42 -13.39 0 5 0 66 278.333 3 ↓

Analogs

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Popular Name: (E)-3-(4-nitrophenyl)-1-thiomorpholino-prop-2-en-1-one (E)-3-(4-nitrophenyl)-1-thiomorp…

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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 8.46 -12.83 0 5 0 66 278.333 3 ↓

Analogs

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Popular Name: (Z)-3-(2-nitrophenyl)-1-thiomorpholino-prop-2-en-1-one (Z)-3-(2-nitrophenyl)-1-thiomorp…

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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) 2.13 8.25 -10.69 0 5 0 66 278.333 3 ↓

Analogs

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Popular Name: (E)-3-(2-nitrophenyl)-1-thiomorpholino-prop-2-en-1-one (E)-3-(2-nitrophenyl)-1-thiomorp…

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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) 2.13 8.36 -18.64 0 5 0 66 278.333 3 ↓

Analogs

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Popular Name: (Z)-3-(5-bromo-2-methoxy-phenyl)-1-thiomorpholino-prop-2-en-1-one (Z)-3-(5-bromo-2-methoxy-phenyl)…

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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) 3.02 7.69 -8.89 0 3 0 30 342.258 3 ↓

Analogs

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Popular Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-thiomorpholino-prop-2-en-1-one (E)-3-(5-bromo-2-methoxy-phenyl)…

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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) 3.02 7.74 -9.61 0 3 0 30 342.258 3 ↓

Analogs

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Popular Name: N-[4-[(Z)-3-oxo-3-thiomorpholino-prop-1-enyl]phenyl]acetamide N-[4-[(Z)-3-oxo-3-thiomorpholino…

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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) 1.62 6.62 -15.04 1 4 0 49 290.388 3 ↓

Analogs

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Popular Name: N-[4-[(E)-3-oxo-3-thiomorpholino-prop-1-enyl]phenyl]acetamide N-[4-[(E)-3-oxo-3-thiomorpholino…

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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) 1.62 6.66 -15.97 1 4 0 49 290.388 3 ↓

Analogs

26064481
26064481

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Popular Name: (E)-3-(p-tolyl)-2-(thiomorpholine-4-carbonyl)prop-2-enenitrile (E)-3-(p-tolyl)-2-(thiomorpholin…

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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) 2.57 8.06 -6.42 0 3 0 44 272.373 2 ↓

Analogs

26064481
26064481

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Popular Name: (Z)-3-(p-tolyl)-2-(thiomorpholine-4-carbonyl)prop-2-enenitrile (Z)-3-(p-tolyl)-2-(thiomorpholin…

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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) 2.57 8.45 -10.72 0 3 0 44 272.373 2 ↓

Analogs

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Popular Name: (E)-3-(4-methoxyphenyl)-2-(thiomorpholine-4-carbonyl)prop-2-enenitrile (E)-3-(4-methoxyphenyl)-2-(thiom…

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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) 2.18 6.7 -8.02 0 4 0 53 288.372 3 ↓

Analogs

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Popular Name: (Z)-3-(4-methoxyphenyl)-2-(thiomorpholine-4-carbonyl)prop-2-enenitrile (Z)-3-(4-methoxyphenyl)-2-(thiom…

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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) 2.18 7.11 -11.85 0 4 0 53 288.372 3 ↓

Analogs

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Popular Name: N-methyl-4-[(Z)-3-oxo-3-thiomorpholino-prop-1-enyl]benzamide N-methyl-4-[(Z)-3-oxo-3-thiomorp…

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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) 1.60 5.99 -14.1 1 4 0 49 290.388 3 ↓

Analogs

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Popular Name: N-methyl-4-[(E)-3-oxo-3-thiomorpholino-prop-1-enyl]benzamide N-methyl-4-[(E)-3-oxo-3-thiomorp…

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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) 1.60 6.04 -14.02 1 4 0 49 290.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-methoxyphenyl)-2-(thiomorpholine-4-carbonyl)prop-2-enenitrile (E)-3-(3-methoxyphenyl)-2-(thiom…

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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) 2.16 6.68 -8.85 0 4 0 53 288.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(3-methoxyphenyl)-2-(thiomorpholine-4-carbonyl)prop-2-enenitrile (Z)-3-(3-methoxyphenyl)-2-(thiom…

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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) 2.16 7.08 -13.87 0 4 0 53 288.372 3 ↓

Analogs

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Popular Name: 3-[(Z)-3-oxo-3-thiomorpholino-prop-1-enyl]benzonitrile 3-[(Z)-3-oxo-3-thiomorpholino-pr…

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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) 2.13 8.1 -11.76 0 3 0 44 258.346 2 ↓

Analogs

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Popular Name: 3-[(E)-3-oxo-3-thiomorpholino-prop-1-enyl]benzonitrile 3-[(E)-3-oxo-3-thiomorpholino-pr…

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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) 2.13 8.14 -13.23 0 3 0 44 258.346 2 ↓

Analogs

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Popular Name: (E)-3-(4-fluoro-2-nitro-phenyl)-1-thiomorpholino-prop-2-en-1-one (E)-3-(4-fluoro-2-nitro-phenyl)-…

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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) 2.27 8.42 -17.21 0 5 0 66 296.323 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 540053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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