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Popular Name: 1-benzyl-4-(3-fluorophenyl)pyrazine-2,3-dione 1-benzyl-4-(3-fluorophenyl)pyraz…

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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) 2.48 10.53 -17.74 0 4 0 44 296.301 3 ↓

Analogs

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Popular Name: 1-benzyl-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-benzyl-4-(2-methoxyphenyl)pyra…

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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) 2.35 9.95 -20.72 0 5 0 53 308.337 4 ↓

Analogs

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Popular Name: 1-benzyl-4-(2-ethoxyphenyl)pyrazine-2,3-dione 1-benzyl-4-(2-ethoxyphenyl)pyraz…

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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) 2.73 10.88 -20.71 0 5 0 53 322.364 5 ↓

Analogs

21729610
21729610

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Popular Name: 1-benzyl-4-(2-methoxy-5-methyl-phenyl)pyrazine-2,3-dione 1-benzyl-4-(2-methoxy-5-methyl-p…

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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) 2.99 10.63 -20.6 0 5 0 53 322.364 4 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-4-(o-tolylmethyl)pyrazine-2,3-dione 1-(2-methoxyphenyl)-4-(o-tolylme…

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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) 2.75 10.96 -19.56 0 5 0 53 322.364 4 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-4-(p-tolylmethyl)pyrazine-2,3-dione 1-(2-methoxyphenyl)-4-(p-tolylme…

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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) 2.80 10.62 -20.65 0 5 0 53 322.364 4 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]pyrazine-2,3-dione 1-(4-chlorophenyl)-4-[(3-chlorop…

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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) 3.46 11.49 -20.44 0 4 0 44 347.201 3 ↓

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-[(2-fluorophenyl)methyl]-4-(2-…

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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) 2.47 9.88 -25.07 0 5 0 53 326.327 4 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione 1-(4-ethoxyphenyl)-4-[(2-fluorop…

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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) 2.68 10.57 -14.1 0 5 0 53 340.354 5 ↓

Analogs

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Popular Name: 1-(2-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione 1-(2-ethoxyphenyl)-4-[(2-fluorop…

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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) 2.84 10.8 -25.08 0 5 0 53 340.354 5 ↓

Analogs

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Popular Name: 1-[(3-fluorophenyl)methyl]-4-(p-tolyl)pyrazine-2,3-dione 1-[(3-fluorophenyl)methyl]-4-(p-…

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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) 2.72 11.2 -22.56 0 4 0 44 310.328 3 ↓

Analogs

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Popular Name: 1-[(3-fluorophenyl)methyl]-4-(o-tolyl)pyrazine-2,3-dione 1-[(3-fluorophenyl)methyl]-4-(o-…

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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) 2.88 11.5 -22.83 0 4 0 44 310.328 3 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione 1-(4-ethoxyphenyl)-4-[(3-fluorop…

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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) 2.70 10.78 -22.9 0 5 0 53 340.354 5 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione 1-(3-fluorophenyl)-4-[(4-fluorop…

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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) 2.65 10.6 -19.09 0 4 0 44 314.291 3 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-[(4-fluorophenyl)methyl]-4-(2-…

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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) 2.51 10.02 -21.58 0 5 0 53 326.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione 1-(4-ethoxyphenyl)-4-[(4-fluorop…

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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) 2.73 10.78 -20.23 0 5 0 53 340.354 5 ↓

Analogs

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Popular Name: 1-[(2,5-dimethylphenyl)methyl]-4-phenyl-pyrazine-2,3-dione 1-[(2,5-dimethylphenyl)methyl]-4…

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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 11.34 -18.24 0 4 0 44 306.365 3 ↓

Parameters Provided:

ring.id = 115573
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 115573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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