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

Analogs

13127439
13127439

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Popular Name: 4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-ethoxybenzoyl)-3-hydroxy-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) 0.90 3.39 -71.89 1 8 -1 112 411.434 10 ↓
Lo Low (pH 4.5-6) 0.90 2.64 -21.13 2 8 0 109 412.442 10 ↓

Analogs

13127438
13127438

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Popular Name: 4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-ethoxybenzoyl)-3-hydroxy-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) 0.90 3.87 -68.45 1 8 -1 112 411.434 10 ↓
Lo Low (pH 4.5-6) 0.90 3.11 -19.05 2 8 0 109 412.442 10 ↓

Analogs

13127630
13127630
15415778
15415778
15415781
15415781
19972667
19972667
19972668
19972668

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Popular Name: (4E,5R)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-(3-diethylaminopropyl)-5-(2-pyridyl)pyrrolidine-2,3 (4E,5R)-4-[(4-chlorophenyl)-hydr…

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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) 2.94 10.15 -73.89 1 6 0 78 427.932 9 ↓

Analogs

15415778
15415778
15415781
15415781
19972667
19972667
19972668
19972668
13127629
13127629

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Popular Name: (4E,5S)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-(3-diethylaminopropyl)-5-(2-pyridyl)pyrrolidine-2,3 (4E,5S)-4-[(4-chlorophenyl)-hydr…

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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) 2.94 10.66 -72.5 1 6 0 78 427.932 9 ↓

Analogs

41540024
41540024

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Popular Name: (2S)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-1-methyl-2-(2-pyridyl)-2H-pyrrol-5-one (2S)-3-(3-fluoro-4-methoxy-benzo…

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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) 1.36 4.63 -65.4 0 6 -1 83 341.318 4 ↓
Lo Low (pH 4.5-6) 1.36 3.88 -20.2 1 6 0 80 342.326 4 ↓

Analogs

41540019
41540019

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Popular Name: (2R)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-1-methyl-2-(2-pyridyl)-2H-pyrrol-5-one (2R)-3-(3-fluoro-4-methoxy-benzo…

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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) 1.36 4.67 -64.93 0 6 -1 83 341.318 4 ↓
Lo Low (pH 4.5-6) 1.36 3.93 -20.05 1 6 0 80 342.326 4 ↓

Analogs

41540331
41540331
39847955
39847955
39847956
39847956
39848025
39848025
39848026
39848026

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Popular Name: (2S)-4-hydroxy-3-(2-methoxy-5-methyl-benzoyl)-1-methyl-2-(2-pyridyl)-2H-pyrrol-5-one (2S)-4-hydroxy-3-(2-methoxy-5-me…

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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) 1.64 6.53 -72.52 0 6 -1 83 337.355 4 ↓
Lo Low (pH 4.5-6) 1.64 5.79 -20.1 1 6 0 80 338.363 4 ↓

Analogs

39847955
39847955
39847956
39847956
39848025
39848025
39848026
39848026
39848085
39848085

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Popular Name: (2R)-4-hydroxy-3-(2-methoxy-5-methyl-benzoyl)-1-methyl-2-(2-pyridyl)-2H-pyrrol-5-one (2R)-4-hydroxy-3-(2-methoxy-5-me…

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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) 1.64 6.54 -71.98 0 6 -1 83 337.355 4 ↓
Lo Low (pH 4.5-6) 1.64 5.79 -19.69 1 6 0 80 338.363 4 ↓

Analogs

41540650
41540650

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Popular Name: (2S)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-1-methyl-2-(2-pyridyl)-2H-pyrrol-5-one (2S)-3-(5-fluoro-2-methoxy-benzo…

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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) 1.36 5.9 -68.32 0 6 -1 83 341.318 4 ↓
Lo Low (pH 4.5-6) 1.36 5.16 -17.94 1 6 0 80 342.326 4 ↓
Lo Low (pH 4.5-6) 1.36 6.83 -61.77 1 6 0 84 342.326 4 ↓

Analogs

41540646
41540646

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Popular Name: (2R)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-1-methyl-2-(2-pyridyl)-2H-pyrrol-5-one (2R)-3-(5-fluoro-2-methoxy-benzo…

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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) 1.36 5.93 -68.51 0 6 -1 83 341.318 4 ↓
Lo Low (pH 4.5-6) 1.36 5.19 -17.99 1 6 0 80 342.326 4 ↓
Lo Low (pH 4.5-6) 1.36 6.85 -61.78 1 6 0 84 342.326 4 ↓

Analogs

41540949
41540949

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Popular Name: (2S)-3-(4-fluorobenzoyl)-4-hydroxy-1-methyl-2-(2-pyridyl)-2H-pyrrol-5-one (2S)-3-(4-fluorobenzoyl)-4-hydro…

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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) 1.37 5.32 -61.61 0 5 -1 73 311.292 3 ↓
Lo Low (pH 4.5-6) 1.37 4.57 -15.93 1 5 0 71 312.3 3 ↓

Analogs

41540945
41540945

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Popular Name: (2R)-3-(4-fluorobenzoyl)-4-hydroxy-1-methyl-2-(2-pyridyl)-2H-pyrrol-5-one (2R)-3-(4-fluorobenzoyl)-4-hydro…

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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) 1.37 5.37 -61.52 0 5 -1 73 311.292 3 ↓
Lo Low (pH 4.5-6) 1.37 4.62 -15.8 1 5 0 71 312.3 3 ↓

Parameters Provided:

ring.id = 114683
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 = 114683 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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