UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8837709
8837709
13127697
13127697
13127699
13127699
39827764
39827764
39827765
39827765

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Popular Name: 4-[hydroxy-(4-propoxyphenyl)-methylene]-1-(2-morpholinoethyl)-5-(p-tolyl)pyrrolidine-2,3-dione 4-[hydroxy-(4-propoxyphenyl)-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) 3.64 8.23 -59.57 0 7 -1 82 463.554 9 ↓
Mid Mid (pH 6-8) 3.05 -0.53 -47.2 1 7 1 77 465.57 9 ↓
Mid Mid (pH 6-8) 3.64 10.59 -69.36 1 7 0 83 464.562 9 ↓

Analogs

13127697
13127697
13127699
13127699
39827764
39827764
39827765
39827765
39827868
39827868

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Popular Name: 4-[hydroxy-(4-propoxyphenyl)-methylene]-1-(2-morpholinoethyl)-5-(p-tolyl)pyrrolidine-2,3-dione 4-[hydroxy-(4-propoxyphenyl)-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) 3.64 8.64 -58.24 0 7 -1 82 463.554 9 ↓
Mid Mid (pH 6-8) 3.64 10.99 -72.39 1 7 0 83 464.562 9 ↓

Analogs

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Popular Name: (5R)-4-(4-chlorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(2-nitrophenyl)-5H-pyrrol-2-one (5R)-4-(4-chlorobenzoyl)-3-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) 2.84 7.8 -52.72 0 9 -1 119 470.889 7 ↓
Mid Mid (pH 6-8) 2.84 10.2 -66.05 1 9 0 120 471.897 7 ↓

Analogs

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Popular Name: (5S)-4-(4-chlorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(2-nitrophenyl)-5H-pyrrol-2-one (5S)-4-(4-chlorobenzoyl)-3-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) 2.84 7.98 -52.16 0 9 -1 119 470.889 7 ↓
Mid Mid (pH 6-8) 2.84 10.33 -64.7 1 9 0 120 471.897 7 ↓

Analogs

34944319
34944319
34944321
34944321

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Popular Name: (5S)-4-(4-bromobenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-4-(4-bromobenzoyl)-3-hydrox…

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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) 4.58 9.63 -55.5 0 6 -1 73 512.424 7 ↓
Mid Mid (pH 6-8) 4.58 11.98 -71.23 1 6 0 74 513.432 7 ↓

Analogs

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Popular Name: (5R)-4-(4-bromobenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-4-(4-bromobenzoyl)-3-hydrox…

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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) 4.58 9.14 -56.39 0 6 -1 73 512.424 7 ↓
Mid Mid (pH 6-8) 4.58 11.49 -67.3 1 6 0 74 513.432 7 ↓

Analogs

40076610
40076610
40076611
40076611

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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) 3.10 7.7 -54.84 0 8 -1 99 483.928 8 ↓
Mid Mid (pH 6-8) 3.10 10.05 -68.01 1 8 0 100 484.936 8 ↓

Analogs

40076610
40076610
40076611
40076611

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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) 3.10 8.1 -53.34 0 8 -1 99 483.928 8 ↓
Mid Mid (pH 6-8) 3.10 10.44 -70.7 1 8 0 100 484.936 8 ↓

Analogs

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Popular Name: (5S)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5S)-4-(4-chlorobenzoyl)-5-(3-et…

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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 5.59 -58.63 1 8 -1 102 485.944 8 ↓
Mid Mid (pH 6-8) 2.65 7.93 -75.65 2 8 0 104 486.952 8 ↓

Analogs

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Popular Name: (5R)-4-(4-chlorobenzoyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5R)-4-(4-chlorobenzoyl)-5-(3-et…

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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 5.1 -59.19 1 8 -1 102 485.944 8 ↓
Mid Mid (pH 6-8) 2.65 7.45 -71.97 2 8 0 104 486.952 8 ↓

Analogs

19898479
19898479
19898769
19898769
19898770
19898770

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Popular Name: 4-benzoyl-3-hydroxy-5-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-3-hydroxy-5-(4-methylp…

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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) 2.70 7.6 -60.33 0 6 -1 73 405.474 6 ↓
Mid Mid (pH 6-8) 2.12 10.32 -47.62 1 6 1 68 407.49 6 ↓
Mid Mid (pH 6-8) 2.70 9.94 -73.23 1 6 0 74 406.482 6 ↓

Analogs

19898479
19898479

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Popular Name: 4-benzoyl-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-3-hydroxy-1-[2-(4-morp…

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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 6.92 -59.98 0 6 -1 73 391.447 6 ↓
Mid Mid (pH 6-8) 2.25 9.27 -73.14 1 6 0 74 392.455 6 ↓
Lo Low (pH 4.5-6) 2.25 8.44 -53.53 2 6 1 71 393.463 6 ↓

Analogs

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Popular Name: 4-benzoyl-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-3-hydroxy-1-[2-(4-morp…

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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 6.57 -60.51 0 6 -1 73 391.447 6 ↓
Mid Mid (pH 6-8) 2.25 8.92 -69.2 1 6 0 74 392.455 6 ↓
Lo Low (pH 4.5-6) 2.25 8.09 -49.55 2 6 1 71 393.463 6 ↓

Analogs

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Popular Name: (5S)-4-(4-chlorobenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-4-(4-chlorobenzoyl)-3-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) 4.44 9.53 -55.74 0 6 -1 73 467.973 7 ↓
Mid Mid (pH 6-8) 4.44 11.87 -71.52 1 6 0 74 468.981 7 ↓
Lo Low (pH 4.5-6) 4.44 11.05 -54.84 2 6 1 71 469.989 7 ↓

Analogs

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Popular Name: (5R)-4-(4-chlorobenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-4-(4-chlorobenzoyl)-3-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) 4.44 9.03 -56.64 0 6 -1 73 467.973 7 ↓
Mid Mid (pH 6-8) 4.44 11.38 -67.64 1 6 0 74 468.981 7 ↓
Lo Low (pH 4.5-6) 4.44 10.55 -50.08 2 6 1 71 469.989 7 ↓

Analogs

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Popular Name: (5S)-4-(4-bromobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-4-(4-bromobenzoyl)-3-hydrox…

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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) 3.12 6.45 -55.78 0 7 -1 82 500.369 7 ↓
Mid Mid (pH 6-8) 3.12 8.81 -66.81 1 7 0 83 501.377 7 ↓
Lo Low (pH 4.5-6) 3.12 7.99 -52.08 2 7 1 81 502.385 7 ↓

Analogs

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Popular Name: (5R)-4-(4-bromobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-4-(4-bromobenzoyl)-3-hydrox…

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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) 3.12 7.05 -54.04 0 7 -1 82 500.369 7 ↓
Mid Mid (pH 6-8) 3.12 9.39 -69.37 1 7 0 83 501.377 7 ↓
Lo Low (pH 4.5-6) 3.12 8.56 -55.54 2 7 1 81 502.385 7 ↓

Analogs

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Popular Name: (5R)-4-(4-bromobenzoyl)-5-(4-chlorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-4-(4-bromobenzoyl)-5-(4-chl…

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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) 3.74 7.7 -53.49 0 6 -1 73 504.788 6 ↓
Mid Mid (pH 6-8) 3.74 10.04 -66.14 1 6 0 74 505.796 6 ↓

Analogs

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Popular Name: (5S)-4-(4-bromobenzoyl)-5-(4-chlorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-4-(4-bromobenzoyl)-5-(4-chl…

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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) 3.74 7.65 -53.51 0 6 -1 73 504.788 6 ↓
Mid Mid (pH 6-8) 3.74 10 -65.51 1 6 0 74 505.796 6 ↓
Lo Low (pH 4.5-6) 3.74 9.19 -52.54 2 6 1 71 506.804 6 ↓

Analogs

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Popular Name: (5R)-4-(4-bromobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one (5R)-4-(4-bromobenzoyl)-3-hydrox…

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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 8.21 -49.28 0 9 -1 119 515.34 7 ↓
Mid Mid (pH 6-8) 3.00 10.56 -67.6 1 9 0 120 516.348 7 ↓
Lo Low (pH 4.5-6) 3.00 9.73 -60.74 2 9 1 117 517.356 7 ↓

Analogs

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Popular Name: (5S)-4-(4-bromobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one (5S)-4-(4-bromobenzoyl)-3-hydrox…

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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 7.8 -50.03 0 9 -1 119 515.34 7 ↓
Mid Mid (pH 6-8) 3.00 10.15 -67.17 1 9 0 120 516.348 7 ↓
Lo Low (pH 4.5-6) 3.00 9.33 -58.5 2 9 1 117 517.356 7 ↓

Analogs

13127624
13127624
20263636
20263636
20263639
20263639
33535244
33535244
34940900
34940900

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Popular Name: (4Z,5R)-5-(3-allyloxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(2-morpholinoethyl)pyrrolidine-2,3-dio (4Z,5R)-5-(3-allyloxyphenyl)-4-[…

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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) 3.38 8.09 -59.69 0 7 -1 82 461.538 9 ↓
Mid Mid (pH 6-8) 2.80 11.19 -58.38 1 7 1 77 463.554 9 ↓
Mid Mid (pH 6-8) 3.38 10.44 -69.94 1 7 0 83 462.546 9 ↓

Analogs

20263636
20263636
20263639
20263639
33535244
33535244
34940900
34940900
34940901
34940901

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Popular Name: (4Z,5S)-5-(3-allyloxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(2-morpholinoethyl)pyrrolidine-2,3-dio (4Z,5S)-5-(3-allyloxyphenyl)-4-[…

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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) 3.38 8.45 -59.5 0 7 -1 82 461.538 9 ↓
Mid Mid (pH 6-8) 3.38 10.72 -72.39 1 7 0 83 462.546 9 ↓

Analogs

13127699
13127699
39827868
39827868
8837708
8837708

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Popular Name: (4Z,5R)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-(2-morpholinoethyl)-5-phenyl-pyrrolidine-2,3-dione (4Z,5R)-4-[hydroxy-(4-propoxyphe…

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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) 3.19 7.97 -57.99 0 7 -1 82 449.527 9 ↓
Mid Mid (pH 6-8) 2.61 11.04 -64.27 1 7 1 77 451.543 9 ↓
Mid Mid (pH 6-8) 3.19 10.32 -72.25 1 7 0 83 450.535 9 ↓

Analogs

39827868
39827868
8837708
8837708

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Popular Name: (4Z,5S)-4-[hydroxy-(4-propoxyphenyl)methylene]-1-(2-morpholinoethyl)-5-phenyl-pyrrolidine-2,3-dione (4Z,5S)-4-[hydroxy-(4-propoxyphe…

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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) 3.19 7.98 -58.72 0 7 -1 82 449.527 9 ↓
Mid Mid (pH 6-8) 3.19 10.25 -71.78 1 7 0 83 450.535 9 ↓

Analogs

19883050
19883050

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Popular Name: (5S)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-4-(4-fluorobenzoyl)-3-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) 2.47 5.9 -56 0 7 -1 82 439.463 7 ↓
Mid Mid (pH 6-8) 2.92 7.14 -59.09 2 7 1 81 441.479 6 ↓
Mid Mid (pH 6-8) 2.47 8.25 -67.24 1 7 0 83 440.471 7 ↓

Analogs

19884140
19884140
40094435
40094435
40094437
40094437

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Popular Name: (5S)-5-(2,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5S)-5-(2,4-dimethoxyphenyl)-4-(…

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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) 2.46 5.72 -55.09 0 8 -1 91 469.489 8 ↓
Mid Mid (pH 6-8) 2.91 7 -57.52 2 8 1 90 471.505 7 ↓
Mid Mid (pH 6-8) 2.46 8.12 -68.34 1 8 0 93 470.497 8 ↓

Analogs

19883114
19883114
19883116
19883116

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Popular Name: (5R)-3-hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-3-hydroxy-5-(4-methoxypheny…

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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) 2.76 6.91 -59.19 0 7 -1 82 435.5 7 ↓
Mid Mid (pH 6-8) 3.21 8.16 -59.69 2 7 1 81 437.516 6 ↓
Mid Mid (pH 6-8) 2.76 9.26 -73.2 1 7 0 83 436.508 7 ↓

Analogs

33770225
33770225
33770226
33770226
33770227
33770227
33770228
33770228

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Popular Name: (5R)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5R)-4-(4-ethoxy-3-methyl-benzoy…

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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) 3.12 7.27 -58.36 0 8 -1 91 479.553 9 ↓
Mid Mid (pH 6-8) 3.57 8.52 -61.52 2 8 1 90 481.569 8 ↓
Mid Mid (pH 6-8) 3.12 9.62 -73.51 1 8 0 93 480.561 9 ↓

Analogs

33770225
33770225
33770226
33770226
33770227
33770227
33770228
33770228

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Popular Name: (5S)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5S)-4-(4-ethoxy-3-methyl-benzoy…

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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) 3.12 7.33 -60.28 0 8 -1 91 479.553 9 ↓
Mid Mid (pH 6-8) 3.57 8.59 -63.58 2 8 1 90 481.569 8 ↓
Mid Mid (pH 6-8) 3.12 9.67 -77.11 1 8 0 93 480.561 9 ↓

Analogs

8905111
8905111

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Popular Name: (5R)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholinoethyl)-5-phenyl-5H-pyrrol-2-one (5R)-3-hydroxy-4-(4-methoxy-2-me…

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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) 2.69 7.24 -59.9 0 7 -1 82 435.5 7 ↓
Mid Mid (pH 6-8) 3.13 8.95 -47.32 2 7 1 81 437.516 6 ↓
Mid Mid (pH 6-8) 2.69 9.57 -70.79 1 7 0 83 436.508 7 ↓

Analogs

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Popular Name: (5S)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholinoethyl)-5-phenyl-5H-pyrrol-2-one (5S)-3-hydroxy-4-(4-methoxy-2-me…

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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) 2.69 7.54 -59.51 0 7 -1 82 435.5 7 ↓
Mid Mid (pH 6-8) 3.13 9.2 -51.28 2 7 1 81 437.516 6 ↓
Mid Mid (pH 6-8) 2.69 9.87 -73.77 1 7 0 83 436.508 7 ↓

Analogs

8905111
8905111

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Popular Name: (5R)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholinoethyl)-5-(p-tolyl)-5H-pyrrol-2-one (5R)-3-hydroxy-4-(4-methoxy-2-me…

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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) 3.14 8.17 -58.88 0 7 -1 82 449.527 7 ↓
Mid Mid (pH 6-8) 3.58 9.82 -49.29 2 7 1 81 451.543 6 ↓
Mid Mid (pH 6-8) 3.14 10.52 -70.96 1 7 0 83 450.535 7 ↓

Analogs

8905111
8905111

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholinoethyl)-5-(p-tolyl)-5H-pyrrol-2-one (5S)-3-hydroxy-4-(4-methoxy-2-me…

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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) 3.14 8.22 -59.74 0 7 -1 82 449.527 7 ↓
Mid Mid (pH 6-8) 3.14 10.56 -73.86 1 7 0 83 450.535 7 ↓

Analogs

19929453
19929453
40079803
40079803
40079804
40079804
40079806
40079806
40079808
40079808

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Popular Name: 5-(2-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 5-(2-ethoxyphenyl)-3-hydroxy-4-(…

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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) 3.07 7.32 -61.08 0 8 -1 91 479.553 9 ↓
Mid Mid (pH 6-8) 3.52 8.94 -46.62 2 8 1 90 481.569 8 ↓
Mid Mid (pH 6-8) 3.07 9.66 -74.33 1 8 0 93 480.561 9 ↓

Analogs

19929466
19929466

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Popular Name: (5R)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(2-morpholinoethyl)-5H (5R)-5-(3-ethoxy-4-hydroxy-pheny…

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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) 2.40 4.66 -48.6 1 9 -1 112 495.552 9 ↓
Mid Mid (pH 6-8) 2.40 7.01 -58.78 2 9 0 113 496.56 9 ↓
Lo Low (pH 4.5-6) 2.40 6.19 -52.2 3 9 1 110 497.568 9 ↓

Analogs

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Popular Name: (5R)-4-(3-fluoro-4-methoxy-benzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5R)-4-(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) 2.54 6 -63.12 0 7 -1 82 457.453 7 ↓
Mid Mid (pH 6-8) 2.99 7.25 -64.62 2 7 1 81 459.469 6 ↓
Mid Mid (pH 6-8) 1.96 8.23 -69.82 1 7 1 77 459.469 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-4-(3-fluoro-4-methoxy-benzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5S)-4-(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) 2.54 6.26 -54.23 0 7 -1 82 457.453 7 ↓
Mid Mid (pH 6-8) 2.99 7.6 -64.82 2 7 1 81 459.469 6 ↓
Mid Mid (pH 6-8) 1.96 8.6 -70.43 1 7 1 77 459.469 7 ↓

Parameters Provided:

ring.id = 5970
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 = 5970 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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