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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: 2-[4-[[6-[[4-[(2R)-2-methylbutanoyl]piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzoni 2-[4-[[6-[[4-[(2R)-2-methylbutan…

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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) 3.79 12.64 -22.74 0 7 0 87 485.584 8 ↓
Mid Mid (pH 6-8) 3.79 14.92 -69.34 1 7 1 88 486.592 8 ↓

Analogs

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Popular Name: 2-[4-[[6-[[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzoni 2-[4-[[6-[[4-[(2S)-2-methylbutan…

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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) 3.79 12.68 -22.53 0 7 0 87 485.584 8 ↓
Mid Mid (pH 6-8) 3.79 14.96 -69.27 1 7 1 88 486.592 8 ↓

Analogs

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Popular Name: 2-[4-[[6-[[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzonitr 2-[4-[[6-[[4-(3-methylbut-2-enoy…

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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) 3.84 12.78 -25.07 0 7 0 87 483.568 7 ↓
Mid Mid (pH 6-8) 3.84 15.05 -69.86 1 7 1 88 484.576 7 ↓

Analogs

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Popular Name: 2-[4-[[6-[(4-hexanoylpiperazin-1-yl)methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzonitrile 2-[4-[[6-[(4-hexanoylpiperazin-1…

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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) 4.61 13.81 -22.72 0 7 0 87 499.611 10 ↓
Mid Mid (pH 6-8) 4.61 16.09 -68.8 1 7 1 88 500.619 10 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.03 10.82 -22.72 0 9 0 113 487.512 8 ↓
Mid Mid (pH 6-8) 2.03 13.11 -68.72 1 9 1 114 488.52 8 ↓

Analogs

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Popular Name: 2-[4-[[6-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzonit 2-[4-[[6-[[4-(3,3-dimethylbutano…

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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) 4.14 13.37 -21.41 0 7 0 87 499.611 8 ↓
Mid Mid (pH 6-8) 4.14 15.65 -67.48 1 7 1 88 500.619 8 ↓

Analogs

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Popular Name: 2-[4-[[6-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzonitrile 2-[4-[[6-[[4-(2-ethylbutanoyl)pi…

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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) 4.29 13.3 -22.43 0 7 0 87 499.611 9 ↓
Mid Mid (pH 6-8) 4.29 15.58 -69.11 1 7 1 88 500.619 9 ↓

Analogs

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Popular Name: 2-[4-[[6-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]ben 2-[4-[[6-[[4-(3-methylsulfanylpr…

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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) 2.96 12.72 -22.38 0 7 0 87 503.624 9 ↓
Mid Mid (pH 6-8) 2.96 15 -68.94 1 7 1 88 504.632 9 ↓

Analogs

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Popular Name: 2-[4-[[6-[(4-heptanoylpiperazin-1-yl)methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]benzonitrile 2-[4-[[6-[(4-heptanoylpiperazin-…

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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) 5.12 14.59 -22.77 0 7 0 87 513.638 11 ↓
Mid Mid (pH 6-8) 5.12 16.87 -68.83 1 7 1 88 514.646 11 ↓

Analogs

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Popular Name: [2-[4-[[5-[[4-(2-cyanophenyl)phenyl]methoxy]-4-oxo-pyran-2-yl]methyl]piperazin-1-yl]-2-oxo-ethyl] [2-[4-[[5-[[4-(2-cyanophenyl)phe…

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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) 2.24 12.47 -26.47 0 9 0 113 501.539 9 ↓
Mid Mid (pH 6-8) 2.24 14.75 -73.19 1 9 1 114 502.547 9 ↓

Analogs

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Popular Name: ethyl 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) 2.40 11.75 -22.49 0 9 0 113 501.539 9 ↓
Mid Mid (pH 6-8) 2.40 14.03 -68.49 1 9 1 114 502.547 9 ↓

Analogs

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Popular Name: 2-[4-[[6-[[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxymethyl]phenyl]ben 2-[4-[[6-[[4-[2-(2-methoxyethoxy…

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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) 1.94 11.07 -28.34 0 9 0 105 517.582 11 ↓
Mid Mid (pH 6-8) 1.94 13.36 -74.42 1 9 1 106 518.59 11 ↓

Analogs

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Popular Name: ethyl 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) 2.36 13.34 -29.66 0 9 0 113 515.566 10 ↓
Mid Mid (pH 6-8) 2.36 15.63 -77.49 1 9 1 114 516.574 10 ↓

Parameters Provided:

ring.id = 98313
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 = 98313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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