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

Analogs

41542063
41542063
22145545
22145545
22145548
22145548

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-benzoyl-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-one (2S)-3-benzoyl-4-hydroxy-1-(2-py…

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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 9.75 -70.29 1 5 0 65 382.485 6 ↓
Lo Low (pH 4.5-6) 2.71 8.99 -49.56 2 5 1 62 383.493 6 ↓

Analogs

41542060
41542060
19997153
19997153

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-benzoyl-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-one (2R)-3-benzoyl-4-hydroxy-1-(2-py…

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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 9.41 -66.59 1 5 0 65 382.485 6 ↓
Lo Low (pH 4.5-6) 2.71 8.65 -44.75 2 5 1 62 383.493 6 ↓

Analogs

41542295
41542295
19928007
19928007

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Popular Name: (2S)-3-(4-fluorobenzoyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-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) 2.87 9.56 -62.62 1 5 0 65 400.475 6 ↓
Lo Low (pH 4.5-6) 2.87 8.8 -44.81 2 5 1 62 401.483 6 ↓

Analogs

19928007
19928007

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-fluorobenzoyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-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) 2.87 9.79 -66.79 1 5 0 65 400.475 6 ↓
Lo Low (pH 4.5-6) 2.87 9.04 -50.05 2 5 1 62 401.483 6 ↓

Analogs

41542522
41542522
19938549
19938549

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Popular Name: (2S)-3-(4-chlorobenzoyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-one (2S)-3-(4-chlorobenzoyl)-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) 3.39 10.01 -62.45 1 5 0 65 416.93 6 ↓
Lo Low (pH 4.5-6) 3.39 9.25 -44.27 2 5 1 62 417.938 6 ↓

Analogs

19938549
19938549

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-chlorobenzoyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-one (2R)-3-(4-chlorobenzoyl)-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) 3.39 10.26 -66.52 1 5 0 65 416.93 6 ↓
Lo Low (pH 4.5-6) 3.39 9.5 -49.42 2 5 1 62 417.938 6 ↓

Analogs

41542756
41542756
39847511
39847511
39847512
39847512
39847581
39847581
39847582
39847582

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Popular Name: (2S)-4-hydroxy-3-(4-methoxybenzoyl)-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-one (2S)-4-hydroxy-3-(4-methoxybenzo…

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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) 2.77 9.05 -68.84 1 6 0 74 412.511 7 ↓
Lo Low (pH 4.5-6) 2.77 8.3 -49.34 2 6 1 71 413.519 7 ↓

Analogs

39847511
39847511
39847512
39847512
39847581
39847581
39847582
39847582
41542753
41542753

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-3-(4-methoxybenzoyl)-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-one (2R)-4-hydroxy-3-(4-methoxybenzo…

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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) 2.77 8.75 -65.17 1 6 0 74 412.511 7 ↓
Lo Low (pH 4.5-6) 2.77 8 -44.48 2 6 1 71 413.519 7 ↓

Analogs

41542980
41542980
13719542
13719542
13719546
13719546

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Popular Name: (2S)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-o (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) 2.86 9.12 -64.62 1 6 0 74 430.501 7 ↓
Lo Low (pH 4.5-6) 2.86 8.37 -46.6 2 6 1 71 431.509 7 ↓

Analogs

13719542
13719542
13719546
13719546
41542977
41542977

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-o (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) 2.86 8.83 -62.69 1 6 0 74 430.501 7 ↓
Lo Low (pH 4.5-6) 2.86 8.07 -43.33 2 6 1 71 431.509 7 ↓

Analogs

41543210
41543210
13722600
13722600
13722602
13722602

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-o (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) 2.86 10.39 -69.19 1 6 0 74 430.501 7 ↓
Lo Low (pH 4.5-6) 2.86 9.64 -48.06 2 6 1 71 431.509 7 ↓

Analogs

13722600
13722600
13722602
13722602
41543207
41543207

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2-(2-thienyl)-2H-pyrrol-5-o (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) 2.86 10.07 -67.06 1 6 0 74 430.501 7 ↓
Lo Low (pH 4.5-6) 2.86 9.32 -44.41 2 6 1 71 431.509 7 ↓

Parameters Provided:

ring.id = 546533
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 = 546533 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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