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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxylic 5-(2-oxopyrrolidin-1-yl)pyridine…

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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) -0.22 4.37 -60.02 0 5 -1 73 205.193 2 ↓
Lo Low (pH 4.5-6) -0.22 4.82 -58.85 1 5 0 75 206.201 2 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(6-methoxy-3-pyridyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(6-methoxy-3-py…

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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) -0.29 -1.1 -10.01 1 5 0 63 208.217 2 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-(6-methoxy-3-pyridyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(6-methoxy-3-py…

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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) -0.29 -1.1 -12.35 1 5 0 63 208.217 2 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-(3-pyridyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(3-pyridyl)pyrr…

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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) -0.69 0.43 -9.76 1 4 0 53 178.191 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-(3-pyridyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(3-pyridyl)pyrr…

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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) -0.69 0.43 -12.11 1 4 0 53 178.191 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-(4-methyl-3-pyridyl)pyrrolidin-2-one (4R)-4-hydroxy-1-(4-methyl-3-pyr…

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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) -0.31 1.72 -11.07 1 4 0 53 192.218 1 ↓
Lo Low (pH 4.5-6) -0.31 2.18 -37.68 2 4 1 55 193.226 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-(4-methyl-3-pyridyl)pyrrolidin-2-one (4S)-4-hydroxy-1-(4-methyl-3-pyr…

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Activity (Go SEA)

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) -0.31 1.72 -13.96 1 4 0 53 192.218 1 ↓
Lo Low (pH 4.5-6) -0.31 2.18 -36.93 2 4 1 55 193.226 1 ↓

Parameters Provided:

ring.id = 315911
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 = 315911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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