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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-(p-tolyl)ethyl] [2-oxo-2-(p-tolyl)ethyl]

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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) 5.79 16.2 -13.48 0 6 0 81 481.548 7 ↓
Ref Reference (pH 7) 5.79 16.68 -15.11 0 6 0 81 481.548 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-(p-tolyl)ethyl] [2-oxo-2-(p-tolyl)ethyl]

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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) 5.79 16.61 -13.37 0 6 0 81 481.548 7 ↓
Ref Reference (pH 7) 5.79 16.68 -15.04 0 6 0 81 481.548 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-ethyl]

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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) 6.02 16.59 -15.81 0 6 0 81 501.966 7 ↓
Ref Reference (pH 7) 6.02 16.44 -12.76 0 6 0 81 501.966 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-ethyl]

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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) 6.02 16.46 -14.43 0 6 0 81 501.966 7 ↓
Ref Reference (pH 7) 6.02 16.03 -12.76 0 6 0 81 501.966 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-fluorophenyl)-2-oxo-ethyl] [2-(4-fluorophenyl)-2-oxo-ethyl]

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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) 5.51 16.01 -14.77 0 6 0 81 485.511 7 ↓
Ref Reference (pH 7) 5.51 15.57 -13.19 0 6 0 81 485.511 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] [2-(4-methoxyphenyl)-2-oxo-ethyl]

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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) 5.40 14.83 -14.08 0 7 0 90 497.547 8 ↓
Ref Reference (pH 7) 5.40 15.3 -15.77 0 7 0 90 497.547 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] [2-(4-methoxyphenyl)-2-oxo-ethyl]

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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) 5.40 15.23 -14.01 0 7 0 90 497.547 8 ↓
Ref Reference (pH 7) 5.40 15.3 -15.63 0 7 0 90 497.547 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenacyl phenacyl

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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) 5.34 15.93 -13.52 0 6 0 81 467.521 7 ↓
Ref Reference (pH 7) 5.34 16.07 -16.69 0 6 0 81 467.521 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenacyl phenacyl

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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) 5.34 15.51 -13.68 0 6 0 81 467.521 7 ↓
Ref Reference (pH 7) 5.34 15.95 -15.37 0 6 0 81 467.521 7 ↓

Analogs

8923849
8923849

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Popular Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] [(1R)-1-methyl-2-oxo-2-(p-tolyl)…

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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) 6.16 16.7 -13.7 0 6 0 81 495.575 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] [(1S)-1-methyl-2-oxo-2-(p-tolyl)…

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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) 6.16 16.68 -13.84 0 6 0 81 495.575 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] [2-(3-methoxyphenyl)-2-oxo-ethyl]

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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) 5.38 14.81 -15.87 0 7 0 90 497.547 8 ↓
Ref Reference (pH 7) 5.38 15.3 -17.51 0 7 0 90 497.547 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] [2-(3-methoxyphenyl)-2-oxo-ethyl]

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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) 5.38 15.22 -15.7 0 7 0 90 497.547 8 ↓
Ref Reference (pH 7) 5.38 15.3 -17.41 0 7 0 90 497.547 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] [(1R)-1-methyl-2-oxo-2-phenyl-et…

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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) 5.71 16.04 -13.83 0 6 0 81 481.548 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] [(1S)-1-methyl-2-oxo-2-phenyl-et…

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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) 5.71 16.02 -13.96 0 6 0 81 481.548 7 ↓

Analogs

8923195
8923195

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] [(1R)-2-(4-chlorophenyl)-1-methy…

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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) 6.38 16.56 -12.73 0 6 0 81 515.993 7 ↓

Analogs

8923195
8923195

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] [(1S)-2-(4-chlorophenyl)-1-methy…

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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) 6.38 16.53 -12.87 0 6 0 81 515.993 7 ↓

Analogs

8923876
8923876

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] [(1R)-2-(3-chlorophenyl)-1-methy…

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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) 6.36 16.56 -12.63 0 6 0 81 515.993 7 ↓

Analogs

8923876
8923876

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] [(1S)-2-(3-chlorophenyl)-1-methy…

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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) 6.36 16.53 -14.43 0 6 0 81 515.993 7 ↓

Analogs

8923891
8923891

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] [(1R)-2-(4-methoxyphenyl)-1-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) 5.76 15.37 -14.53 0 7 0 90 511.574 8 ↓

Analogs

8923891
8923891

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] [(1S)-2-(4-methoxyphenyl)-1-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) 5.76 15.34 -14.63 0 7 0 90 511.574 8 ↓

Parameters Provided:

ring.id = 42044
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 = 42044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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