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

Analogs

41533456
41533456
41533532
41533532
41533536
41533536
19798486
19798486

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-2-phenyl-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-phenyl…

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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) 1.71 9.77 -68.94 1 5 0 65 328.412 5 ↓
Lo Low (pH 4.5-6) 1.71 8.81 -48.41 2 5 1 62 329.42 5 ↓

Analogs

41533532
41533532
41533536
41533536
41533451
41533451
19798486
19798486

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-4-hydroxy-2-phenyl-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-phenyl…

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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) 1.71 9.28 -66.46 1 5 0 65 328.412 5 ↓
Lo Low (pH 4.5-6) 1.71 7.75 -38.3 2 5 1 62 329.42 5 ↓

Analogs

41533466
41533466
19867907
19867907

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(2-fluorophenyl)…

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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) 1.83 9.88 -75.32 1 5 0 65 346.402 5 ↓
Lo Low (pH 4.5-6) 1.83 8.98 -52.04 2 5 1 62 347.41 5 ↓

Analogs

41533462
41533462
19867907
19867907

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(2-fluorophenyl)…

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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) 1.83 8.91 -63.39 1 5 0 65 346.402 5 ↓
Lo Low (pH 4.5-6) 1.83 7.95 -40.81 2 5 1 62 347.41 5 ↓

Analogs

41533474
41533474
19787827
19787827

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(3-fluorophenyl)…

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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) 1.85 9.84 -66.49 1 5 0 65 346.402 5 ↓
Lo Low (pH 4.5-6) 1.85 8.88 -49.36 2 5 1 62 347.41 5 ↓

Analogs

41533470
41533470
19787827
19787827

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(3-fluorophenyl)…

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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) 1.85 9.35 -65.37 1 5 0 65 346.402 5 ↓
Lo Low (pH 4.5-6) 1.85 7.82 -41.57 2 5 1 62 347.41 5 ↓

Analogs

41533482
41533482
19790129
19790129

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(4-fluorophenyl)…

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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) 1.88 9.81 -69.55 1 5 0 65 346.402 5 ↓
Lo Low (pH 4.5-6) 1.88 8.87 -52.24 2 5 1 62 347.41 5 ↓

Analogs

41533478
41533478
19790129
19790129

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(4-fluorophenyl)…

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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) 1.88 8.59 -46.3 1 5 0 65 346.402 5 ↓
Lo Low (pH 4.5-6) 1.88 7.82 -40.74 2 5 1 62 347.41 5 ↓

Analogs

41533490
41533490

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(3-chlorophenyl)…

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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) 2.37 10.26 -65.98 1 5 0 65 362.857 5 ↓
Lo Low (pH 4.5-6) 2.37 9.35 -48.9 2 5 1 62 363.865 5 ↓

Analogs

41533486
41533486

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(3-chlorophenyl)…

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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) 2.37 9.03 -46.58 1 5 0 65 362.857 5 ↓
Lo Low (pH 4.5-6) 2.37 8.87 -47.13 2 5 1 62 363.865 5 ↓

Analogs

41533498
41533498
19882031
19882031

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(4-chlorophenyl)…

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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) 2.39 10.29 -68.94 1 5 0 65 362.857 5 ↓
Lo Low (pH 4.5-6) 2.39 9.33 -51.34 2 5 1 62 363.865 5 ↓

Analogs

41533494
41533494
19771719
19771719

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(4-chlorophenyl)…

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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) 2.39 9.8 -66.06 1 5 0 65 362.857 5 ↓
Lo Low (pH 4.5-6) 2.39 8.27 -39.99 2 5 1 62 363.865 5 ↓

Analogs

41533506
41533506

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-2-(3,4-dichlorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(3,4-dichlorophe…

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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) 3.00 10.72 -66.24 1 5 0 65 397.302 5 ↓
Lo Low (pH 4.5-6) 3.00 9.81 -51.72 2 5 1 62 398.31 5 ↓

Analogs

41533502
41533502

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-2-(3,4-dichlorophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(3,4-dichlorophe…

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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) 3.00 9.49 -45.64 1 5 0 65 397.302 5 ↓
Lo Low (pH 4.5-6) 3.00 9.33 -49.5 2 5 1 62 398.31 5 ↓

Analogs

41533514
41533514
19882027
19882027

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(3-nit…

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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) 1.65 10.49 -67.26 1 8 0 111 373.409 6 ↓
Lo Low (pH 4.5-6) 1.65 9.52 -54.93 2 8 1 108 374.417 6 ↓

Analogs

19882027
19882027

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(3-nit…

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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) 1.65 10.01 -67.74 1 8 0 111 373.409 6 ↓
Lo Low (pH 4.5-6) 1.65 8.45 -49 2 8 1 108 374.417 6 ↓

Analogs

41533522
41533522
41533212
41533212
41533216
41533216

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-2-(3-bromophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(3-bromophenyl)-…

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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) 2.50 10.37 -65.78 1 5 0 65 407.308 5 ↓
Lo Low (pH 4.5-6) 2.50 9.45 -48.7 2 5 1 62 408.316 5 ↓

Analogs

41533212
41533212
41533216
41533216
41533518
41533518

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-2-(3-bromophenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(3-bromophenyl)-…

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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) 2.50 9.13 -46.47 1 5 0 65 407.308 5 ↓
Lo Low (pH 4.5-6) 2.50 8.97 -47.11 2 5 1 62 408.316 5 ↓

Analogs

41533528
41533528
19771799
19771799

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(4-nit…

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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 10.49 -72.9 1 8 0 111 373.409 6 ↓
Lo Low (pH 4.5-6) 1.67 9.54 -60.4 2 8 1 108 374.417 6 ↓

Analogs

41533525
41533525
19771799
19771799

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(4-nit…

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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 10 -69.24 1 8 0 111 373.409 6 ↓
Lo Low (pH 4.5-6) 1.67 9.06 -56.38 2 8 1 108 374.417 6 ↓

Analogs

41533536
41533536
41533451
41533451
41533456
41533456
19808825
19808825

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(p-tolyl)-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-1-[2-(1-…

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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) 2.16 9.18 -47.24 1 5 0 65 342.439 5 ↓
Lo Low (pH 4.5-6) 2.16 8.93 -44.82 2 5 1 62 343.447 5 ↓

Analogs

41533451
41533451
41533456
41533456
41533532
41533532

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(p-tolyl)-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-1-[2-(1-…

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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) 2.16 10.38 -69.08 1 5 0 65 342.439 5 ↓
Lo Low (pH 4.5-6) 2.16 9.27 -48.88 2 5 1 62 343.447 5 ↓

Analogs

41533544
41533544
41533548
41533548
41533551
41533551
19972734
19972734
19972735
19972735

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-2-(4-isopropylphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(4-iso…

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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) 3.23 11.24 -66.31 1 5 0 65 370.493 6 ↓
Lo Low (pH 4.5-6) 3.23 10.19 -45.28 2 5 1 62 371.501 6 ↓

Analogs

41533548
41533548
41533551
41533551
41533540
41533540
19972734
19972734

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-4-hydroxy-2-(4-isopropylphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(4-iso…

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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) 3.23 11.69 -69.28 1 5 0 65 370.493 6 ↓
Lo Low (pH 4.5-6) 3.23 10.53 -48.97 2 5 1 62 371.501 6 ↓

Analogs

41533551
41533551
41533540
41533540
41533544
41533544
19972734
19972734

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-2-(4-tert-butylphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(4-tert-butylphe…

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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) 3.42 12.06 -68.64 1 5 0 65 384.52 6 ↓
Lo Low (pH 4.5-6) 3.42 11.15 -48.71 2 5 1 62 385.528 6 ↓

Analogs

41533540
41533540
41533544
41533544
41533548
41533548

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-2-(4-tert-butylphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(4-tert-butylphe…

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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) 3.42 10.84 -47.37 1 5 0 65 384.52 6 ↓
Lo Low (pH 4.5-6) 3.42 10.67 -46.02 2 5 1 62 385.528 6 ↓

Analogs

41533559
41533559

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Popular Name: methyl methyl

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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) 1.88 10.4 -73.84 1 7 0 91 386.448 7 ↓
Lo Low (pH 4.5-6) 1.88 9.45 -56.95 2 7 1 88 387.456 7 ↓

Analogs

41533555
41533555

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Popular Name: methyl methyl

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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) 1.88 9.93 -69.46 1 7 0 91 386.448 7 ↓
Lo Low (pH 4.5-6) 1.88 8.4 -43.44 2 7 1 88 387.456 7 ↓

Analogs

41533591
41533591
19882015
19882015

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-2-(2-methoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(2-met…

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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 9.49 -71.97 1 6 0 74 358.438 6 ↓
Lo Low (pH 4.5-6) 1.72 8.55 -49.44 2 6 1 71 359.446 6 ↓

Analogs

41533587
41533587
19882015
19882015

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-acetyl-4-hydroxy-2-(2-methoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(2-met…

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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 9.05 -69.8 1 6 0 74 358.438 6 ↓
Lo Low (pH 4.5-6) 1.72 8.12 -45.9 2 6 1 71 359.446 6 ↓

Analogs

41533599
41533599
19972728
19972728

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(3-met…

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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) 1.75 9.07 -67.07 1 6 0 74 358.438 6 ↓
Lo Low (pH 4.5-6) 1.75 8.13 -47.99 2 6 1 71 359.446 6 ↓

Analogs

41533595
41533595
19972728
19972728

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Popular Name: (2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(3-met…

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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) 1.75 8.58 -65.76 1 6 0 74 358.438 6 ↓
Lo Low (pH 4.5-6) 1.75 7.65 -45.86 2 6 1 71 359.446 6 ↓

Analogs

41533607
41533607

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Popular Name: (2R)-3-acetyl-2-(3-ethoxyphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(3-ethoxyphenyl)…

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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) 2.12 9.41 -64.9 1 6 0 74 372.465 7 ↓
Lo Low (pH 4.5-6) 2.12 8.48 -44.68 2 6 1 71 373.473 7 ↓

Analogs

41533603
41533603

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Popular Name: (2S)-3-acetyl-2-(3-ethoxyphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(3-ethoxyphenyl)…

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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) 2.12 9.89 -66.95 1 6 0 74 372.465 7 ↓
Lo Low (pH 4.5-6) 2.12 8.96 -47.45 2 6 1 71 373.473 7 ↓

Analogs

41533615
41533615

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Popular Name: (2R)-3-acetyl-4-hydroxy-2-(3-isopropoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(3-iso…

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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) 2.49 9.42 -48.32 1 6 0 74 386.492 7 ↓
Lo Low (pH 4.5-6) 2.49 8.65 -40.08 2 6 1 71 387.5 7 ↓

Analogs

41533611
41533611

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Popular Name: (2S)-3-acetyl-4-hydroxy-2-(3-isopropoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(3-iso…

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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) 2.49 10.57 -67.03 1 6 0 74 386.492 7 ↓
Lo Low (pH 4.5-6) 2.49 9.63 -47.74 2 6 1 71 387.5 7 ↓

Analogs

41533622
41533622

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Popular Name: (2R)-3-acetyl-2-(3-allyloxyphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(3-allyloxypheny…

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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) 2.39 10.58 -66.76 1 6 0 74 384.476 8 ↓
Lo Low (pH 4.5-6) 2.39 9.64 -47.98 2 6 1 71 385.484 8 ↓

Analogs

41533618
41533618

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Popular Name: (2S)-3-acetyl-2-(3-allyloxyphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(3-allyloxypheny…

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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) 2.39 10.09 -65.71 1 6 0 74 384.476 8 ↓
Lo Low (pH 4.5-6) 2.39 9.16 -46.05 2 6 1 71 385.484 8 ↓

Analogs

41533629
41533629

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Popular Name: (2R)-3-acetyl-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-1-[2-(1-…

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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) 2.63 9.53 -47.9 1 6 0 74 386.492 8 ↓
Lo Low (pH 4.5-6) 2.63 9.28 -44.6 2 6 1 71 387.5 8 ↓

Analogs

41533625
41533625

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Popular Name: (2S)-3-acetyl-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-1-[2-(1-…

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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) 2.63 10.74 -66.8 1 6 0 74 386.492 8 ↓
Lo Low (pH 4.5-6) 2.63 9.76 -47.38 2 6 1 71 387.5 8 ↓

Analogs

41533637
41533637
19882011
19882011

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Popular Name: (2R)-3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(4-met…

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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) 1.77 9.07 -70.75 1 6 0 74 358.438 6 ↓
Lo Low (pH 4.5-6) 1.77 8.11 -51.08 2 6 1 71 359.446 6 ↓

Analogs

41533633
41533633
19882011
19882011

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Popular Name: (2S)-3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(4-met…

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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) 1.77 8.58 -67.18 1 6 0 74 358.438 6 ↓
Lo Low (pH 4.5-6) 1.77 7.05 -39.48 2 6 1 71 359.446 6 ↓

Analogs

41533645
41533645
19809225
19809225

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Popular Name: (2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(4-ethoxyphenyl)…

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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) 2.15 8.73 -47.26 1 6 0 74 372.465 7 ↓
Lo Low (pH 4.5-6) 2.15 7.96 -39.12 2 6 1 71 373.473 7 ↓

Analogs

41533641
41533641
19809225
19809225

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Popular Name: (2S)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(4-ethoxyphenyl)…

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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) 2.15 9.94 -70.84 1 6 0 74 372.465 7 ↓
Lo Low (pH 4.5-6) 2.15 9 -51.2 2 6 1 71 373.473 7 ↓

Analogs

41533653
41533653

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Popular Name: (2R)-3-acetyl-4-hydroxy-2-(4-isopropoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-2-(4-iso…

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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) 2.51 9.37 -47.87 1 6 0 74 386.492 7 ↓
Lo Low (pH 4.5-6) 2.51 9.22 -47.62 2 6 1 71 387.5 7 ↓

Analogs

41533649
41533649

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Popular Name: (2S)-3-acetyl-4-hydroxy-2-(4-isopropoxyphenyl)-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-2-(4-iso…

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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) 2.51 10.57 -69.26 1 6 0 74 386.492 7 ↓
Lo Low (pH 4.5-6) 2.51 9.67 -50.39 2 6 1 71 387.5 7 ↓

Analogs

41533661
41533661

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Popular Name: (2R)-3-acetyl-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(4-propoxyphenyl)-2H-pyrrol-5-one (2R)-3-acetyl-4-hydroxy-1-[2-(1-…

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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) 2.65 9.53 -46.95 1 6 0 74 386.492 8 ↓
Lo Low (pH 4.5-6) 2.65 9.28 -46.61 2 6 1 71 387.5 8 ↓

Analogs

41533657
41533657

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Popular Name: (2S)-3-acetyl-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2-(4-propoxyphenyl)-2H-pyrrol-5-one (2S)-3-acetyl-4-hydroxy-1-[2-(1-…

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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) 2.65 10.74 -70.61 1 6 0 74 386.492 8 ↓
Lo Low (pH 4.5-6) 2.65 9.62 -50.52 2 6 1 71 387.5 8 ↓

Analogs

41533669
41533669

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Popular Name: (2R)-3-acetyl-2-(4-allyloxyphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2R)-3-acetyl-2-(4-allyloxypheny…

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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 10.56 -70.67 1 6 0 74 384.476 8 ↓
Lo Low (pH 4.5-6) 2.42 9.65 -51.7 2 6 1 71 385.484 8 ↓

Analogs

41533665
41533665

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Popular Name: (2S)-3-acetyl-2-(4-allyloxyphenyl)-4-hydroxy-1-[2-(1-piperidyl)ethyl]-2H-pyrrol-5-one (2S)-3-acetyl-2-(4-allyloxypheny…

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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 9.33 -47.1 1 6 0 74 384.476 8 ↓
Lo Low (pH 4.5-6) 2.42 9.16 -47.37 2 6 1 71 385.484 8 ↓

Parameters Provided:

ring.id = 545175
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 = 545175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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