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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: 5-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one 5-[(3R)-3-(aminomethyl)pyrrolidi…

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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) -1.34 -0.52 -53.42 4 6 1 94 223.256 2 ↓
Hi High (pH 8-9.5) -0.88 -2.61 -75.93 3 6 0 97 222.248 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(6-oxo-1H-pyrazi…

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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) -0.65 2.58 -51.52 1 7 -1 106 250.234 2 ↓
Hi High (pH 8-9.5) -0.20 0.48 -90.11 0 7 -2 109 249.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(6-oxo-1H-pyrazi…

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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) -0.65 2.63 -51.8 1 7 -1 106 250.234 2 ↓
Hi High (pH 8-9.5) -0.20 0.54 -99.72 0 7 -2 109 249.226 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(6-oxo-1H-pyrazin…

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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) -0.32 3.09 -47.98 1 7 -1 106 264.261 3 ↓
Hi High (pH 8-9.5) 0.14 0.99 -90.37 0 7 -2 109 263.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(6-oxo-1H-pyrazin…

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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) -0.32 3.11 -51.15 1 7 -1 106 264.261 3 ↓
Hi High (pH 8-9.5) 0.14 1.02 -99.34 0 7 -2 109 263.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(6-oxo-1H-pyrazine-3-carb…

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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) 0.24 3.85 -48.24 1 7 -1 106 278.288 4 ↓
Hi High (pH 8-9.5) 0.70 1.75 -90.98 0 7 -2 109 277.28 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(6-oxo-1H-pyrazine-3-carb…

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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) 0.24 3.88 -51.42 1 7 -1 106 278.288 4 ↓
Hi High (pH 8-9.5) 0.70 1.79 -100.07 0 7 -2 109 277.28 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(6-oxo-1H-pyrazine-3-c…

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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) -0.74 2.93 -52.95 1 7 -1 106 250.234 3 ↓
Hi High (pH 8-9.5) -0.28 0.82 -93.24 0 7 -2 109 249.226 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(6-oxo-1H-pyrazine-3-c…

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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) -0.74 2.88 -52.72 1 7 -1 106 250.234 3 ↓
Hi High (pH 8-9.5) -0.28 0.78 -93.42 0 7 -2 109 249.226 3 ↓

Analogs

42433376
42433376

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Popular Name: 5-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one 5-[(2R)-2-(hydroxymethyl)pyrroli…

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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) -0.89 0.66 -11.82 2 6 0 86 223.232 2 ↓
Hi High (pH 8-9.5) -0.43 -1.45 -44.73 1 6 -1 89 222.224 2 ↓

Analogs

42433375
42433375

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one 5-[(2S)-2-(hydroxymethyl)pyrroli…

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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) -0.89 0.66 -11.83 2 6 0 86 223.232 2 ↓
Hi High (pH 8-9.5) -0.43 -1.44 -44.66 1 6 -1 89 222.224 2 ↓

Parameters Provided:

ring.id = 10445
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 = 10445 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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