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

Analogs

22145545
22145545
22145548
22145548
41542060
41542060
41542063
41542063

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-4-benzoyl-1-(2-dimethylaminoethyl)-3-hydroxy-5-(2-thienyl)-5H-pyrrol-2-one (5R)-4-benzoyl-1-(2-dimethylamin…

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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) 2.31 8.68 -73.04 1 5 0 65 356.447 6 ↓
Hi High (pH 8-9.5) 2.31 6.14 -58.5 0 5 -1 64 355.439 6 ↓
Lo Low (pH 4.5-6) 2.31 7.85 -51.81 2 5 1 62 357.455 6 ↓

Analogs

22145545
22145545
22145548
22145548
41542060
41542060
41542063
41542063

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-4-benzoyl-1-(2-dimethylaminoethyl)-3-hydroxy-5-(2-thienyl)-5H-pyrrol-2-one (5S)-4-benzoyl-1-(2-dimethylamin…

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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) 2.31 8.7 -72.8 1 5 0 65 356.447 6 ↓
Hi High (pH 8-9.5) 2.31 6.16 -58.21 0 5 -1 64 355.439 6 ↓
Lo Low (pH 4.5-6) 2.31 7.87 -51.69 2 5 1 62 357.455 6 ↓

Analogs

33675052
33675052
33698052
33698052
33698054
33698054
6382312
6382312
6382394
6382394

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Popular Name: (5R)-1-(3-diethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(2-thienyl)-5H-pyrrol-2-one (5R)-1-(3-diethylaminopropyl)-4-…

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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) 4.16 12.69 -72.4 1 5 0 65 426.582 9 ↓
Lo Low (pH 4.5-6) 4.16 11.72 -43.99 2 5 1 62 427.59 9 ↓

Analogs

33675052
33675052
33698052
33698052
33698054
33698054
6382312
6382312
6382394
6382394

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(3-diethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(2-thienyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-4-…

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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) 4.16 12.39 -73.53 1 5 0 65 426.582 9 ↓
Lo Low (pH 4.5-6) 4.16 11.42 -45 2 5 1 62 427.59 9 ↓

Analogs

40080867
40080867
40080869
40080869
40123304
40123304
40123305
40123305
9244319
9244319

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-5-(2-thienyl)-5H-pyrrol-2-one (5R)-1-(2-diethylaminoethyl)-3-h…

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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) 4.24 11.57 -69.2 1 6 0 74 456.608 11 ↓
Hi High (pH 8-9.5) 4.24 9.28 -56.56 0 6 -1 73 455.6 11 ↓
Lo Low (pH 4.5-6) 4.24 10.76 -51.23 2 6 1 71 457.616 11 ↓

Analogs

40080867
40080867
40080869
40080869
40123304
40123304
40123305
40123305
9244319
9244319

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-5-(2-thienyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-3-h…

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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) 4.24 11.82 -69.5 1 6 0 74 456.608 11 ↓
Hi High (pH 8-9.5) 4.24 9.6 -56.68 0 6 -1 73 455.6 11 ↓
Lo Low (pH 4.5-6) 4.24 11.01 -51.25 2 6 1 71 457.616 11 ↓

Analogs

16734883
16734883
16734886
16734886
20171240
20171240

Draw Identity 99% 90% 80% 70%

Popular Name: (4E,5S)-4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(2-dimethylaminoethyl)-5-(2-thienyl)pyrrolidine-2 (4E,5S)-4-[(4-allyloxyphenyl)-hy…

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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) 3.01 9.39 -71.46 1 6 0 74 412.511 9 ↓

Analogs

41540212
41540212
40110240
40110240
40110241
40110241
40127794
40127794
40127796
40127796

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Popular Name: (2S)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-1-methyl-2-(2-thienyl)-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) 2.42 5.66 -56.97 0 5 -1 70 346.359 4 ↓
Lo Low (pH 4.5-6) 2.42 4.92 -16.24 1 5 0 67 347.367 4 ↓

Analogs

40127794
40127794
40127796
40127796
41540209
41540209

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-1-methyl-2-(2-thienyl)-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) 2.42 5.64 -57.16 0 5 -1 70 346.359 4 ↓
Lo Low (pH 4.5-6) 2.42 4.89 -16.28 1 5 0 67 347.367 4 ↓

Analogs

41540525
41540525

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-3-(2-methoxy-5-methyl-benzoyl)-1-methyl-2-(2-thienyl)-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) 2.71 7.51 -63.62 0 5 -1 70 342.396 4 ↓
Lo Low (pH 4.5-6) 2.71 6.76 -15.66 1 5 0 67 343.404 4 ↓

Analogs

41540521
41540521

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-3-(2-methoxy-5-methyl-benzoyl)-1-methyl-2-(2-thienyl)-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) 2.71 7.52 -63.58 0 5 -1 70 342.396 4 ↓
Lo Low (pH 4.5-6) 2.71 6.77 -15.52 1 5 0 67 343.404 4 ↓

Analogs

41540841
41540841

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-1-methyl-2-(2-thienyl)-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) 2.42 6.92 -60.84 0 5 -1 70 346.359 4 ↓
Lo Low (pH 4.5-6) 2.42 6.17 -14.34 1 5 0 67 347.367 4 ↓

Analogs

41540837
41540837

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-1-methyl-2-(2-thienyl)-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) 2.42 6.9 -60.76 0 5 -1 70 346.359 4 ↓
Lo Low (pH 4.5-6) 2.42 6.15 -14.29 1 5 0 67 347.367 4 ↓

Analogs

41541118
41541118
6423942
6423942
6423984
6423984

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-fluorobenzoyl)-4-hydroxy-1-methyl-2-(2-thienyl)-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) 2.44 6.35 -53.9 0 4 -1 60 316.333 3 ↓
Lo Low (pH 4.5-6) 2.44 5.6 -12.24 1 4 0 58 317.341 3 ↓

Analogs

6423942
6423942
6423984
6423984

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-fluorobenzoyl)-4-hydroxy-1-methyl-2-(2-thienyl)-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) 2.44 6.32 -53.96 0 4 -1 60 316.333 3 ↓
Lo Low (pH 4.5-6) 2.44 5.58 -12.21 1 4 0 58 317.341 3 ↓

Parameters Provided:

ring.id = 58309
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 = 58309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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