UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41532169
41532169
41532222
41532222
41532225
41532225
41532391
41532391
41532394
41532394

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-phenyl-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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 7.84 -60.51 0 5 -1 74 308.313 4 ↓
Lo Low (pH 4.5-6) 1.83 6.95 -12.79 1 5 0 71 309.321 4 ↓

Analogs

41532222
41532222
41532225
41532225
41532391
41532391
41532394
41532394
41532450
41532450

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-phenyl-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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 7.84 -60.57 0 5 -1 74 308.313 4 ↓
Lo Low (pH 4.5-6) 1.83 6.94 -12.83 1 5 0 71 309.321 4 ↓

Analogs

41532175
41532175
41532397
41532397
41532400
41532400
33582896
33582896
33582900
33582900

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Popular Name: (2S)-2-(2-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(2-fluorophenyl)-3-[(E)-3…

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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) 1.94 7.18 -57.66 0 5 -1 74 326.303 4 ↓
Lo Low (pH 4.5-6) 1.94 6.29 -11.2 1 5 0 71 327.311 4 ↓

Analogs

41532397
41532397
41532400
41532400
33582896
33582896
33582900
33582900

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Popular Name: (2R)-2-(2-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(2-fluorophenyl)-3-[(E)-3…

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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) 1.94 7.48 -50.21 0 5 -1 74 326.303 4 ↓
Lo Low (pH 4.5-6) 1.94 6.73 -11 1 5 0 71 327.311 4 ↓

Analogs

41532181
41532181
41532403
41532403
41532406
41532406
33583736
33583736
33583740
33583740

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Popular Name: (2R)-2-(3-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(3-fluorophenyl)-3-[(E)-3…

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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) 1.97 7.91 -56.14 0 5 -1 74 326.303 4 ↓
Lo Low (pH 4.5-6) 1.97 7.02 -12.04 1 5 0 71 327.311 4 ↓

Analogs

41532403
41532403
41532406
41532406
33583736
33583736
33583740
33583740

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Popular Name: (2S)-2-(3-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(3-fluorophenyl)-3-[(E)-3…

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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) 1.97 7.9 -56.14 0 5 -1 74 326.303 4 ↓
Lo Low (pH 4.5-6) 1.97 7.01 -12.01 1 5 0 71 327.311 4 ↓

Analogs

41532187
41532187
41532409
41532409
41532412
41532412
33584630
33584630
33584634
33584634

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Popular Name: (2R)-2-(4-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(4-fluorophenyl)-3-[(E)-3…

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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) 1.99 7.91 -57.74 0 5 -1 74 326.303 4 ↓
Lo Low (pH 4.5-6) 1.99 7.02 -13.44 1 5 0 71 327.311 4 ↓

Analogs

41532409
41532409
41532412
41532412
33584630
33584630
33584634
33584634

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Popular Name: (2S)-2-(4-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(4-fluorophenyl)-3-[(E)-3…

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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) 1.99 7.9 -57.78 0 5 -1 74 326.303 4 ↓
Lo Low (pH 4.5-6) 1.99 7.01 -13.47 1 5 0 71 327.311 4 ↓

Analogs

41532193
41532193
41532200
41532200
41532202
41532202
41532415
41532415
41532418
41532418

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Popular Name: (2R)-2-(3-chlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(3-chlorophenyl)-3-[(E)-3…

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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) 2.48 8.36 -56.1 0 5 -1 74 342.758 4 ↓
Lo Low (pH 4.5-6) 2.48 7.47 -11.44 1 5 0 71 343.766 4 ↓

Analogs

41532200
41532200
41532202
41532202
41532415
41532415
41532418
41532418
41532427
41532427

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Popular Name: (2S)-2-(3-chlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(3-chlorophenyl)-3-[(E)-3…

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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) 2.48 8.36 -56.1 0 5 -1 74 342.758 4 ↓
Lo Low (pH 4.5-6) 2.48 7.46 -11.41 1 5 0 71 343.766 4 ↓

Analogs

41532198
41532198
41532421
41532421
41532424
41532424
33588343
33588343
33588345
33588345

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Popular Name: (2R)-2-(4-chlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(4-chlorophenyl)-3-[(E)-3…

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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 8.36 -57.62 0 5 -1 74 342.758 4 ↓
Lo Low (pH 4.5-6) 2.51 7.47 -12.9 1 5 0 71 343.766 4 ↓

Analogs

41532421
41532421
41532424
41532424
33588343
33588343
33588345
33588345

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Popular Name: (2S)-2-(4-chlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(4-chlorophenyl)-3-[(E)-3…

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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 8.36 -57.63 0 5 -1 74 342.758 4 ↓
Lo Low (pH 4.5-6) 2.51 7.46 -12.95 1 5 0 71 343.766 4 ↓

Analogs

41532202
41532202
41532415
41532415
41532418
41532418
41532427
41532427
41532430
41532430

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Popular Name: (2R)-2-(3,4-dichlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(3,4-dichlorophenyl)-3-[(…

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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) 3.11 8.82 -53.86 0 5 -1 74 377.203 4 ↓
Lo Low (pH 4.5-6) 3.11 7.93 -11.78 1 5 0 71 378.211 4 ↓

Analogs

41532415
41532415
41532418
41532418
41532427
41532427
41532430
41532430
33588343
33588343

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Popular Name: (2S)-2-(3,4-dichlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(3,4-dichlorophenyl)-3-[(…

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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) 3.11 8.81 -53.9 0 5 -1 74 377.203 4 ↓
Lo Low (pH 4.5-6) 3.11 7.92 -11.79 1 5 0 71 378.211 4 ↓

Analogs

41532207
41532207
41532433
41532433
41532436
41532436
39849355
39849355
39849356
39849356

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(3-nitrophenyl)-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.76 8.56 -53.86 0 8 -1 119 353.31 5 ↓
Lo Low (pH 4.5-6) 1.76 7.67 -13.75 1 8 0 117 354.318 5 ↓

Analogs

41532433
41532433
41532436
41532436
39849355
39849355
39849356
39849356
39849403
39849403

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(3-nitrophenyl)-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.76 8.55 -53.8 0 8 -1 119 353.31 5 ↓
Lo Low (pH 4.5-6) 1.76 7.66 -13.69 1 8 0 117 354.318 5 ↓

Analogs

41532213
41532213
41532438
41532438
41532441
41532441
39849353
39849353
39849354
39849354

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Popular Name: (2R)-2-(3-bromophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(3-bromophenyl)-3-[(E)-3-…

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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) 2.61 8.47 -55.91 0 5 -1 74 387.209 4 ↓
Lo Low (pH 4.5-6) 2.61 7.57 -11.27 1 5 0 71 388.217 4 ↓

Analogs

41532438
41532438
41532441
41532441
39849353
39849353
39849354
39849354
39849401
39849401

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Popular Name: (2S)-2-(3-bromophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(3-bromophenyl)-3-[(E)-3-…

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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) 2.61 8.46 -55.94 0 5 -1 74 387.209 4 ↓
Lo Low (pH 4.5-6) 2.61 7.57 -11.26 1 5 0 71 388.217 4 ↓

Analogs

41532219
41532219
41532444
41532444
41532447
41532447
39849355
39849355
39849356
39849356

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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 8.56 -56.83 0 8 -1 119 353.31 5 ↓
Lo Low (pH 4.5-6) 1.79 7.66 -16.7 1 8 0 117 354.318 5 ↓

Analogs

41532444
41532444
41532447
41532447
39849357
39849357
39849358
39849358
39849405
39849405

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(4-nitrophenyl)-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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 8.55 -56.88 0 8 -1 119 353.31 5 ↓
Lo Low (pH 4.5-6) 1.79 7.66 -16.7 1 8 0 117 354.318 5 ↓

Analogs

41532225
41532225
41532228
41532228
41532231
41532231
41532234
41532234
41532237
41532237

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(p-tolyl)-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.28 8.52 -60.94 0 5 -1 74 322.34 4 ↓
Lo Low (pH 4.5-6) 2.28 7.67 -13.01 1 5 0 71 323.348 4 ↓

Analogs

41532228
41532228
41532391
41532391
41532394
41532394
41532450
41532450
41532453
41532453

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(p-tolyl)-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.28 8.51 -60.66 0 5 -1 74 322.34 4 ↓
Lo Low (pH 4.5-6) 2.28 7.65 -12.81 1 5 0 71 323.348 4 ↓

Analogs

41532231
41532231
41532234
41532234
41532237
41532237
41532450
41532450
41532453
41532453

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropylphenyl)-1-methyl-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 3.34 9.78 -60.7 0 5 -1 74 350.394 5 ↓
Lo Low (pH 4.5-6) 3.34 8.92 -12.73 1 5 0 71 351.402 5 ↓

Analogs

41532234
41532234
41532237
41532237
41532456
41532456
41532459
41532459
41532462
41532462

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropylphenyl)-1-methyl-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 3.34 9.78 -60.44 0 5 -1 74 350.394 5 ↓
Lo Low (pH 4.5-6) 3.34 8.9 -12.53 1 5 0 71 351.402 5 ↓

Analogs

41532237
41532237
41532456
41532456
41532459
41532459
41532462
41532462
41532465
41532465

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Popular Name: (2R)-2-(4-tert-butylphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(4-tert-butylphenyl)-3-[(…

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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) 3.54 10.17 -60.76 0 5 -1 74 364.421 5 ↓
Lo Low (pH 4.5-6) 3.54 9.32 -12.7 1 5 0 71 365.429 5 ↓

Analogs

41532456
41532456
41532459
41532459
41532462
41532462
41532465
41532465
39849347
39849347

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Popular Name: (2S)-2-(4-tert-butylphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(4-tert-butylphenyl)-3-[(…

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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) 3.54 10.16 -60.51 0 5 -1 74 364.421 5 ↓
Lo Low (pH 4.5-6) 3.54 9.3 -12.47 1 5 0 71 365.429 5 ↓

Analogs

41532243
41532243
41532468
41532468
41532471
41532471
39849407
39849407
39849408
39849408

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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) 2.00 8.5 -61.5 0 7 -1 100 366.349 6 ↓
Lo Low (pH 4.5-6) 2.00 7.6 -17.14 1 7 0 97 367.357 6 ↓

Analogs

41532468
41532468
41532471
41532471
39849407
39849407
39849408
39849408
39849499
39849499

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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) 2.00 8.49 -61.58 0 7 -1 100 366.349 6 ↓
Lo Low (pH 4.5-6) 2.00 7.6 -17.14 1 7 0 97 367.357 6 ↓

Analogs

41532267
41532267
41532492
41532492
41532495
41532495
39849409
39849409
39849410
39849410

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(2-methoxyphenyl)-1-methyl-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.84 6.68 -61.26 0 6 -1 83 338.339 5 ↓
Lo Low (pH 4.5-6) 1.84 7.17 -10.76 1 6 0 80 339.347 5 ↓

Analogs

41532492
41532492
41532495
41532495
39849409
39849409
39849410
39849410
41532264
41532264

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(2-methoxyphenyl)-1-methyl-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.84 7.92 -51.75 0 6 -1 83 338.339 5 ↓
Lo Low (pH 4.5-6) 1.84 7.17 -10.58 1 6 0 80 339.347 5 ↓

Analogs

41532273
41532273
41532498
41532498
41532501
41532501

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-methoxyphenyl)-1-methyl-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.86 7.14 -59.47 0 6 -1 83 338.339 5 ↓
Lo Low (pH 4.5-6) 1.86 6.26 -12.8 1 6 0 80 339.347 5 ↓

Analogs

41532498
41532498
41532501
41532501
41532270
41532270

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-methoxyphenyl)-1-methyl-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.86 7.13 -59.49 0 6 -1 83 338.339 5 ↓
Lo Low (pH 4.5-6) 1.86 6.24 -12.77 1 6 0 80 339.347 5 ↓

Analogs

41532279
41532279
41532288
41532288
41532291
41532291
41532504
41532504
41532507
41532507

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(3-ethoxyphenyl)-3-[(E)-3…

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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) 2.24 8.08 -59.34 0 6 -1 83 352.366 6 ↓
Lo Low (pH 4.5-6) 2.24 7.22 -12.63 1 6 0 80 353.374 6 ↓

Analogs

41532288
41532288
41532291
41532291
41532504
41532504
41532507
41532507
41532516
41532516

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Popular Name: (2S)-2-(3-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(3-ethoxyphenyl)-3-[(E)-3…

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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) 2.24 8.07 -59.16 0 6 -1 83 352.366 6 ↓
Lo Low (pH 4.5-6) 2.24 7.2 -12.46 1 6 0 80 353.374 6 ↓

Analogs

41532285
41532285
41532510
41532510
41532513
41532513

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-isopropoxyphenyl)-1-methyl-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.60 8.7 -59.39 0 6 -1 83 366.393 6 ↓
Lo Low (pH 4.5-6) 2.60 7.84 -12.51 1 6 0 80 367.401 6 ↓

Analogs

41532510
41532510
41532513
41532513
41532282
41532282

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-isopropoxyphenyl)-1-methyl-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.60 8.69 -59.07 0 6 -1 83 366.393 6 ↓
Lo Low (pH 4.5-6) 2.60 7.82 -12.28 1 6 0 80 367.401 6 ↓

Analogs

41532291
41532291
41532504
41532504
41532507
41532507
41532516
41532516
41532519
41532519

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Popular Name: (2R)-2-(3-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(3-allyloxyphenyl)-3-[(E)…

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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 8.65 -58.86 0 6 -1 83 364.377 7 ↓
Lo Low (pH 4.5-6) 2.51 7.77 -12.32 1 6 0 80 365.385 7 ↓

Analogs

41532504
41532504
41532507
41532507
41532516
41532516
41532519
41532519
39849361
39849361

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(3-allyloxyphenyl)-3-[(E)…

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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 8.64 -59.03 0 6 -1 83 364.377 7 ↓
Lo Low (pH 4.5-6) 2.51 7.75 -12.47 1 6 0 80 365.385 7 ↓

Analogs

41532297
41532297
41532522
41532522
41532525
41532525
39849363
39849363
39849364
39849364

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(3-propoxyphenyl)-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.74 8.88 -59.01 0 6 -1 83 366.393 7 ↓
Lo Low (pH 4.5-6) 2.74 8.02 -12.38 1 6 0 80 367.401 7 ↓

Analogs

41532522
41532522
41532525
41532525
39849363
39849363
39849364
39849364
39849417
39849417

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(3-propoxyphenyl)-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.74 8.86 -58.78 0 6 -1 83 366.393 7 ↓
Lo Low (pH 4.5-6) 2.74 8 -12.21 1 6 0 80 367.401 7 ↓

Analogs

41532303
41532303
41532528
41532528
41532531
41532531
39849411
39849411
39849412
39849412

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-methyl-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.89 7.14 -61.2 0 6 -1 83 338.339 5 ↓
Lo Low (pH 4.5-6) 1.89 6.26 -14.45 1 6 0 80 339.347 5 ↓

Analogs

41532528
41532528
41532531
41532531
39849411
39849411
39849412
39849412
41532300
41532300

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-methyl-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.89 7.13 -61.26 0 6 -1 83 338.339 5 ↓
Lo Low (pH 4.5-6) 1.89 6.24 -14.52 1 6 0 80 339.347 5 ↓

Analogs

41532310
41532310
41532534
41532534
41532537
41532537
39849365
39849365
39849366
39849366

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Popular Name: (2R)-2-(4-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(4-ethoxyphenyl)-3-[(E)-3…

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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) 2.26 8.07 -61.33 0 6 -1 83 352.366 6 ↓
Lo Low (pH 4.5-6) 2.26 7.22 -14.52 1 6 0 80 353.374 6 ↓

Analogs

41532534
41532534
41532537
41532537
39849365
39849365
39849366
39849366
39849367
39849367

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Popular Name: (2S)-2-(4-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(4-ethoxyphenyl)-3-[(E)-3…

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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) 2.26 8.07 -61.05 0 6 -1 83 352.366 6 ↓
Lo Low (pH 4.5-6) 2.26 7.2 -14.3 1 6 0 80 353.374 6 ↓

Analogs

41532316
41532316
41532540
41532540
41532543
41532543
39849365
39849365
39849366
39849366

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropoxyphenyl)-1-methyl-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.62 8.71 -61.53 0 6 -1 83 366.393 6 ↓
Lo Low (pH 4.5-6) 2.62 7.84 -14.52 1 6 0 80 367.401 6 ↓

Analogs

41532540
41532540
41532543
41532543
39849365
39849365
39849366
39849366
39849419
39849419

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropoxyphenyl)-1-methyl-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 2.62 8.7 -61.06 0 6 -1 83 366.393 6 ↓
Lo Low (pH 4.5-6) 2.62 7.82 -14.18 1 6 0 80 367.401 6 ↓

Analogs

41532322
41532322
41532546
41532546
41532549
41532549
39849369
39849369
39849370
39849370

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(4-propoxyphenyl)-2H-pyrrol-5-one (2R)-3-[(E)-3-(2-furyl)prop-2-en…

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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 8.88 -61 0 6 -1 83 366.393 7 ↓
Lo Low (pH 4.5-6) 2.76 8.02 -14.25 1 6 0 80 367.401 7 ↓

Analogs

41532546
41532546
41532549
41532549
39849369
39849369
39849370
39849370
39849423
39849423

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2-(4-propoxyphenyl)-2H-pyrrol-5-one (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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 8.86 -60.72 0 6 -1 83 366.393 7 ↓
Lo Low (pH 4.5-6) 2.76 8 -14.01 1 6 0 80 367.401 7 ↓

Analogs

41532328
41532328
41532552
41532552
41532555
41532555
39849367
39849367
39849368
39849368

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Popular Name: (2R)-2-(4-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-2-(4-allyloxyphenyl)-3-[(E)…

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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) 2.53 8.65 -61.16 0 6 -1 83 364.377 7 ↓
Lo Low (pH 4.5-6) 2.53 7.78 -14.44 1 6 0 80 365.385 7 ↓

Analogs

41532552
41532552
41532555
41532555
39849367
39849367
39849368
39849368
39849421
39849421

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-2-(4-allyloxyphenyl)-3-[(E)…

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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) 2.53 8.64 -61.04 0 6 -1 83 364.377 7 ↓
Lo Low (pH 4.5-6) 2.53 7.75 -14.4 1 6 0 80 365.385 7 ↓

Parameters Provided:

ring.id = 544951
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 = 544951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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