UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41541936
41541936
39847461
39847461
39847462
39847462
39847525
39847525
39847526
39847526

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Popular Name: (2R)-3-benzoyl-4-hydroxy-2-(4-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-benzoyl-4-hydroxy-2-(4-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) 1.52 9.26 -71.05 1 6 0 78 377.444 6 ↓
Lo Low (pH 4.5-6) 1.52 8.5 -52.87 2 6 1 75 378.452 6 ↓

Analogs

39847461
39847461
39847462
39847462
39847525
39847525
39847526
39847526
40077048
40077048

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Popular Name: (2S)-3-benzoyl-4-hydroxy-2-(4-pyridyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-benzoyl-4-hydroxy-2-(4-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) 1.52 8.7 -66.75 1 6 0 78 377.444 6 ↓
Lo Low (pH 4.5-6) 1.52 7.95 -47.26 2 6 1 75 378.452 6 ↓

Analogs

41542166
41542166
13127716
13127716

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Popular Name: (2R)-3-(4-fluorobenzoyl)-4-hydroxy-2-(4-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) 1.69 9.33 -67.79 1 6 0 78 395.434 6 ↓
Lo Low (pH 4.5-6) 1.69 8.57 -53.57 2 6 1 75 396.442 6 ↓

Analogs

40094612
40094612
40094614
40094614
13127716
13127716

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Popular Name: (2S)-3-(4-fluorobenzoyl)-4-hydroxy-2-(4-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) 1.69 8.76 -63.32 1 6 0 78 395.434 6 ↓
Lo Low (pH 4.5-6) 1.69 8.01 -47.82 2 6 1 75 396.442 6 ↓

Analogs

41542396
41542396
19882791
19882791

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Popular Name: (2R)-3-(4-chlorobenzoyl)-4-hydroxy-2-(4-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) 2.20 9.78 -67.61 1 6 0 78 411.889 6 ↓
Lo Low (pH 4.5-6) 2.20 9.02 -52.9 2 6 1 75 412.897 6 ↓

Analogs

41542393
41542393
13127714
13127714

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Popular Name: (2S)-3-(4-chlorobenzoyl)-4-hydroxy-2-(4-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) 2.20 9.22 -63.13 1 6 0 78 411.889 6 ↓
Lo Low (pH 4.5-6) 2.20 8.47 -47.26 2 6 1 75 412.897 6 ↓

Analogs

41542630
41542630
39847409
39847409
39847410
39847410
39847461
39847461
39847462
39847462

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Popular Name: (2R)-4-hydroxy-3-(4-methoxybenzoyl)-2-(4-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) 1.58 8.56 -69.72 1 7 0 87 407.47 7 ↓
Lo Low (pH 4.5-6) 1.58 7.81 -52.72 2 7 1 84 408.478 7 ↓

Analogs

39847461
39847461
39847462
39847462
39847525
39847525
39847526
39847526
40117816
40117816

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Popular Name: (2S)-4-hydroxy-3-(4-methoxybenzoyl)-2-(4-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) 1.58 8 -65.55 1 7 0 87 407.47 7 ↓
Lo Low (pH 4.5-6) 1.58 7.24 -47.32 2 7 1 84 408.478 7 ↓

Analogs

41542856
41542856
16736487
16736487
16736490
16736490
19999370
19999370

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Popular Name: (2R)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-2-(4-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) 1.67 8.63 -65.38 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.67 7.88 -49.89 2 7 1 84 426.468 7 ↓

Analogs

16736487
16736487
16736490
16736490
41542853
41542853

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Popular Name: (2S)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-2-(4-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) 1.67 8.08 -62.81 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.67 7.32 -45.97 2 7 1 84 426.468 7 ↓

Analogs

41543085
41543085
13726421
13726421
13726424
13726424

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Popular Name: (2R)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-2-(4-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) 1.67 9.9 -69.83 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.67 9.15 -51.29 2 7 1 84 426.468 7 ↓

Analogs

13726421
13726421
13726424
13726424
41543082
41543082

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Popular Name: (2S)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-2-(4-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) 1.67 9.33 -66.92 1 7 0 87 425.46 7 ↓
Lo Low (pH 4.5-6) 1.67 8.58 -46.96 2 7 1 84 426.468 7 ↓

Parameters Provided:

ring.id = 546511
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 = 546511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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