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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41533567
41533567
41533260
41533260
41533264
41533264
18156445
18156445

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(2-pyridyl)-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-1-[2-(1-…

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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) 0.54 7.1 -48.55 1 6 0 78 329.4 5 ↓
Lo Low (pH 4.5-6) 0.54 6.33 -38.7 2 6 1 75 330.408 5 ↓
Lo Low (pH 4.5-6) 0.54 8.94 -106.49 2 6 1 79 330.408 5 ↓

Analogs

39849029
39849029
39849030
39849030
39849053
39849053
39849054
39849054
41533260
41533260

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(2-pyridyl)-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-1-[2-(1-…

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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) 0.54 7.49 -72.29 1 6 0 78 329.4 5 ↓
Lo Low (pH 4.5-6) 0.54 6.58 -48.03 2 6 1 75 330.408 5 ↓
Lo Low (pH 4.5-6) 0.54 8.89 -107.74 2 6 1 79 330.408 5 ↓

Analogs

41535869
41535869
41535154
41535154
41535159
41535159

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Popular Name: (2S)-4-hydroxy-3-(2-methylpropanoyl)-1-[2-(1-piperidyl)ethyl]-2-(2-pyridyl)-2H-pyrrol-5-one (2S)-4-hydroxy-3-(2-methylpropan…

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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) 1.29 8.55 -47.87 1 6 0 78 357.454 6 ↓
Lo Low (pH 4.5-6) 1.29 7.8 -38.62 2 6 1 75 358.462 6 ↓

Analogs

41535154
41535154
41535159
41535159
41535865
41535865

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-3-(2-methylpropanoyl)-1-[2-(1-piperidyl)ethyl]-2-(2-pyridyl)-2H-pyrrol-5-one (2R)-4-hydroxy-3-(2-methylpropan…

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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) 1.29 8.59 -71.92 1 6 0 78 357.454 6 ↓
Lo Low (pH 4.5-6) 1.29 7.83 -47.92 2 6 1 75 358.462 6 ↓

Parameters Provided:

ring.id = 545205
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 = 545205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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