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

Analogs

41533264
41533264
41533563
41533563
41533567
41533567
39849029
39849029
39849030
39849030

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-4-hydroxy-2-(2-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(2-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) 0.04 6.42 -49.49 1 6 0 78 315.373 5 ↓
Lo Low (pH 4.5-6) 0.04 5.63 -38.75 2 6 1 75 316.381 5 ↓
Lo Low (pH 4.5-6) 0.04 8.1 -105.87 2 6 1 79 316.381 5 ↓

Analogs

41533563
41533563
41533567
41533567
41533260
41533260
18156445
18156445

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-2-(2-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(2-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) 0.04 6.66 -73.68 1 6 0 78 315.373 5 ↓
Lo Low (pH 4.5-6) 0.04 5.84 -48.49 2 6 1 75 316.381 5 ↓
Lo Low (pH 4.5-6) 0.04 7.17 -102.07 2 6 1 79 316.381 5 ↓

Analogs

41535159
41535159
41535865
41535865
41535869
41535869

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Popular Name: (2S)-4-hydroxy-3-(2-methylpropanoyl)-2-(2-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 0.78 7.86 -48.77 1 6 0 78 343.427 6 ↓
Lo Low (pH 4.5-6) 0.78 7.1 -38.66 2 6 1 75 344.435 6 ↓

Analogs

41535865
41535865
41535869
41535869
41535154
41535154

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-3-(2-methylpropanoyl)-2-(2-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 0.78 7.88 -72.88 1 6 0 78 343.427 6 ↓
Lo Low (pH 4.5-6) 0.78 7.14 -48.19 2 6 1 75 344.435 6 ↓

Parameters Provided:

ring.id = 545150
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 = 545150 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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