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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: (4R)-4-hydroxy-1-[2-(3-pyridyl)ethyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[2-(3-pyridyl)e…

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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) -0.28 1.84 -10.59 1 4 0 53 206.245 3 ↓
Lo Low (pH 4.5-6) -0.28 2.31 -40.37 2 4 1 55 207.253 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-hydroxy-1-[2-(3-pyridyl)ethyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[2-(3-pyridyl)e…

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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) -0.28 1.85 -10.38 1 4 0 53 206.245 3 ↓
Lo Low (pH 4.5-6) -0.28 2.32 -39.68 2 4 1 55 207.253 3 ↓

Analogs

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Popular Name: 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxylic acid 5-oxo-1-(2-pyridin-3-ylethyl)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) -0.02 5.77 -43.03 0 5 -1 73 233.247 4 ↓
Lo Low (pH 4.5-6) -0.02 6.24 -62.48 1 5 0 75 234.255 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxylic acid 5-oxo-1-(2-pyridin-3-ylethyl)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) -0.02 5.72 -47.22 0 5 -1 73 233.247 4 ↓
Lo Low (pH 4.5-6) -0.02 6.19 -61.01 1 5 0 75 234.255 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[2-(3-pyridyl)ethyl]pyrrolidin-2-one (4R)-4-amino-1-[2-(3-pyridyl)eth…

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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) -0.77 2.49 -61.35 3 4 1 61 206.269 3 ↓
Hi High (pH 8-9.5) -0.77 2.2 -9.4 2 4 0 59 205.261 3 ↓
Lo Low (pH 4.5-6) -0.77 2.96 -103.64 4 4 2 62 207.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[2-(3-pyridyl)ethyl]pyrrolidin-2-one (4S)-4-amino-1-[2-(3-pyridyl)eth…

Find On: PubMed — Wikipedia — Google

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) -0.77 2.5 -59.45 3 4 1 61 206.269 3 ↓
Hi High (pH 8-9.5) -0.77 2.22 -9.51 2 4 0 59 205.261 3 ↓
Lo Low (pH 4.5-6) -0.77 2.97 -103.83 4 4 2 62 207.277 3 ↓

Parameters Provided:

ring.id = 508237
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 = 508237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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