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

Analogs

41541930
41541930
13127730
13127730

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Popular Name: (2R)-3-benzoyl-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-benzoyl-4-hydroxy-2-(3-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) 1.57 9.26 -72.87 1 6 0 78 377.444 6 ↓
Lo Low (pH 4.5-6) 1.57 8.51 -52.5 2 6 1 75 378.452 6 ↓

Analogs

33862561
33862561
33862562
33862562

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Popular Name: (2S)-3-benzoyl-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-benzoyl-4-hydroxy-2-(3-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) 1.57 8.59 -68.93 1 6 0 78 377.444 6 ↓
Lo Low (pH 4.5-6) 1.57 7.84 -46.86 2 6 1 75 378.452 6 ↓

Analogs

41542160
41542160
20191207
20191207

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Popular Name: (2R)-3-(4-fluorobenzoyl)-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.74 8.7 -64.87 1 6 0 78 395.434 6 ↓
Lo Low (pH 4.5-6) 1.74 7.94 -47.4 2 6 1 75 396.442 6 ↓

Analogs

41542157
41542157
20191207
20191207

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(4-fluorobenzoyl)-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.74 9.2 -70.39 1 6 0 78 395.434 6 ↓
Lo Low (pH 4.5-6) 1.74 8.44 -53.74 2 6 1 75 396.442 6 ↓

Analogs

41542390
41542390
20135420
20135420

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Popular Name: (2R)-3-(4-chlorobenzoyl)-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 2.25 9.16 -64.73 1 6 0 78 411.889 6 ↓
Lo Low (pH 4.5-6) 2.25 8.4 -46.82 2 6 1 75 412.897 6 ↓

Analogs

41542387
41542387
20135420
20135420

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Popular Name: (2S)-3-(4-chlorobenzoyl)-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 2.25 9.65 -70.13 1 6 0 78 411.889 6 ↓
Lo Low (pH 4.5-6) 2.25 8.89 -53.09 2 6 1 75 412.897 6 ↓

Analogs

41542624
41542624
39847459
39847459
39847460
39847460
39847523
39847523
39847524
39847524

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Popular Name: (2R)-4-hydroxy-3-(4-methoxybenzoyl)-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.63 8.55 -71.41 1 7 0 87 407.47 7 ↓
Lo Low (pH 4.5-6) 1.63 7.8 -52.32 2 7 1 84 408.478 7 ↓

Analogs

39847459
39847459
39847460
39847460
39847523
39847523
39847524
39847524
12873343
12873343

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-3-(4-methoxybenzoyl)-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.63 7.89 -67.72 1 7 0 87 407.47 7 ↓
Lo Low (pH 4.5-6) 1.63 7.14 -47 2 7 1 84 408.478 7 ↓

Analogs

41542850
41542850
13687078
13687078
13687082
13687082

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Popular Name: (2R)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.72 8.63 -67.03 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.72 7.88 -49.53 2 7 1 84 426.468 7 ↓

Analogs

41542847
41542847
13687078
13687078
13687082
13687082

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.72 7.96 -64.74 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.72 7.21 -45.41 2 7 1 84 426.468 7 ↓

Analogs

41543079
41543079
13686618
13686618
13686622
13686622

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.72 9.89 -71.56 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.72 9.14 -50.93 2 7 1 84 426.468 7 ↓

Analogs

41543076
41543076
13686618
13686618
13686622
13686622

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-2-(3-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-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) 1.72 9.23 -69.01 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.72 8.48 -46.52 2 7 1 84 426.468 7 ↓

Parameters Provided:

ring.id = 546510
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 = 546510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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