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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)-1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1S,8aS)-1,2,3,5,6,7,8,8…

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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) 0.20 3.52 -39.41 2 4 1 45 225.312 1 ↓
Hi High (pH 8-9.5) 0.20 2.6 -8.07 1 4 0 44 224.304 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-hydroxy-pyrrolidin-2-one (4R)-1-[(1R,8aS)-1,2,3,5,6,7,8,8…

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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) 0.20 3.17 -34.45 2 4 1 45 225.312 1 ↓
Hi High (pH 8-9.5) 0.20 1.02 -8.61 1 4 0 44 224.304 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1S,8aS)-1,2,3,5,6,7,8,8…

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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) 0.46 7.45 -55.97 1 5 0 65 252.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-oxo-pyrrolidine-3-carboxylic (3R)-1-[(1R,8aS)-1,2,3,5,6,7,8,8…

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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) 0.46 7.1 -57.08 1 5 0 65 252.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-amino-pyrrolidin-2-one (4R)-1-[(1S,8aS)-1,2,3,5,6,7,8,8…

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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) -0.30 4.17 -114.07 4 4 2 52 225.336 1 ↓
Hi High (pH 8-9.5) -0.30 3.89 -38.67 3 4 1 51 224.328 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-amino-pyrrolidin-2-one (4R)-1-[(1R,8aS)-1,2,3,5,6,7,8,8…

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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) -0.30 3.82 -99.09 4 4 2 52 225.336 1 ↓
Hi High (pH 8-9.5) -0.30 3.53 -33.35 3 4 1 51 224.328 1 ↓

Parameters Provided:

ring.id = 508712
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 = 508712 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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