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

Analogs

41541924
41541924
20229632
20229632

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Popular Name: (2S)-3-benzoyl-4-hydroxy-2-(2-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-benzoyl-4-hydroxy-2-(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) 1.64 9.11 -72.18 1 6 0 78 377.444 6 ↓
Lo Low (pH 4.5-6) 1.64 8.36 -49.06 2 6 1 75 378.452 6 ↓

Analogs

41541921
41541921
20229632
20229632

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Popular Name: (2R)-3-benzoyl-4-hydroxy-2-(2-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-benzoyl-4-hydroxy-2-(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) 1.64 8.66 -73.4 1 6 0 78 377.444 6 ↓
Lo Low (pH 4.5-6) 1.64 7.9 -47.39 2 6 1 75 378.452 6 ↓

Analogs

41542154
41542154
20229346
20229346

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Popular Name: (2S)-3-(4-fluorobenzoyl)-4-hydroxy-2-(2-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) 1.80 8.72 -70.24 1 6 0 78 395.434 6 ↓
Lo Low (pH 4.5-6) 1.80 7.96 -47.98 2 6 1 75 396.442 6 ↓

Analogs

41542151
41542151
20229346
20229346

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-fluorobenzoyl)-4-hydroxy-2-(2-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) 1.80 9.22 -67.44 1 6 0 78 395.434 6 ↓
Lo Low (pH 4.5-6) 1.80 8.46 -48.76 2 6 1 75 396.442 6 ↓

Analogs

41542384
41542384
20191839
20191839

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Popular Name: (2S)-3-(4-chlorobenzoyl)-4-hydroxy-2-(2-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) 2.32 9.18 -70.12 1 6 0 78 411.889 6 ↓
Lo Low (pH 4.5-6) 2.32 8.41 -47.44 2 6 1 75 412.897 6 ↓

Analogs

41542382
41542382
20191839
20191839

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(4-chlorobenzoyl)-4-hydroxy-2-(2-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) 2.32 9.67 -67.32 1 6 0 78 411.889 6 ↓
Lo Low (pH 4.5-6) 2.32 8.91 -48.22 2 6 1 75 412.897 6 ↓

Analogs

41542618
41542618
39847457
39847457
39847458
39847458
39847521
39847521
39847522
39847522

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Popular Name: (2S)-4-hydroxy-3-(4-methoxybenzoyl)-2-(2-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) 1.70 8.37 -70.32 1 7 0 87 407.47 7 ↓
Lo Low (pH 4.5-6) 1.70 7.61 -48.46 2 7 1 84 408.478 7 ↓

Analogs

39847457
39847457
39847458
39847458
39847521
39847521
39847522
39847522
41542615
41542615

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-3-(4-methoxybenzoyl)-2-(2-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) 1.70 7.99 -72.19 1 7 0 87 407.47 7 ↓
Lo Low (pH 4.5-6) 1.70 7.23 -47.41 2 7 1 84 408.478 7 ↓

Analogs

41542844
41542844
13691435
13691435
13691436
13691436

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Popular Name: (2S)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-2-(2-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) 1.79 8.48 -66.7 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.79 7.73 -46.19 2 7 1 84 426.468 7 ↓

Analogs

41542841
41542841
13691435
13691435
13691436
13691436

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-2-(2-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) 1.79 8.05 -69.19 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.79 7.3 -45.86 2 7 1 84 426.468 7 ↓

Analogs

41543073
41543073
13720328
13720328
13720330
13720330

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-2-(2-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) 1.79 9.75 -71.23 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.79 9 -47.66 2 7 1 84 426.468 7 ↓

Analogs

13720328
13720328
13720330
13720330
41543070
41543070

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-2-(2-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) 1.79 9.26 -73.79 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.79 8.51 -47.23 2 7 1 84 426.468 7 ↓

Parameters Provided:

ring.id = 546509
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 = 546509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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