UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41532618
41532618
41532675
41532675
41532678
41532678
41532688
41532688
33585827
33585827

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(2-pyrrolidin-1-ylethyl)-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) 2.26 10.87 -68.81 1 6 0 78 392.455 7 ↓
Lo Low (pH 4.5-6) 2.26 9.97 -44.73 2 6 1 75 393.463 7 ↓

Analogs

41532675
41532675
41532678
41532678
41532688
41532688
33585827
33585827
33585829
33585829

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(2-pyrrolidin-1-ylethyl)-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) 2.26 11.28 -70.37 1 6 0 78 392.455 7 ↓
Lo Low (pH 4.5-6) 2.26 10.4 -46.9 2 6 1 75 393.463 7 ↓

Analogs

41532624
41532624
41532852
41532852
41532855
41532855
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-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.38 10.48 -66.08 1 6 0 78 410.445 7 ↓
Lo Low (pH 4.5-6) 2.38 9.59 -40.88 2 6 1 75 411.453 7 ↓

Analogs

41532852
41532852
41532855
41532855
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-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.38 10.92 -56.46 1 6 0 78 410.445 7 ↓
Lo Low (pH 4.5-6) 2.38 10.17 -42.33 2 6 1 75 411.453 7 ↓

Analogs

41532630
41532630
41532859
41532859
41532862
41532862
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-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.40 10.94 -69.98 1 6 0 78 410.445 7 ↓
Lo Low (pH 4.5-6) 2.40 10.04 -46.57 2 6 1 75 411.453 7 ↓

Analogs

41532859
41532859
41532862
41532862
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-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.40 11.35 -73.35 1 6 0 78 410.445 7 ↓
Lo Low (pH 4.5-6) 2.40 10.47 -50.63 2 6 1 75 411.453 7 ↓

Analogs

41532636
41532636
41532865
41532865
41532868
41532868
39849395
39849395
39849396
39849396

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Popular Name: (2R)-2-(4-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.42 11.39 -70.34 1 6 0 78 410.445 7 ↓
Lo Low (pH 4.5-6) 2.42 10.51 -50.09 2 6 1 75 411.453 7 ↓

Analogs

41532865
41532865
41532868
41532868
39849395
39849395
39849396
39849396
39849533
39849533

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Popular Name: (2S)-2-(4-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.42 10.92 -67.99 1 6 0 78 410.445 7 ↓
Lo Low (pH 4.5-6) 2.42 10.04 -47.2 2 6 1 75 411.453 7 ↓

Analogs

41532642
41532642
41532651
41532651
41532654
41532654
41532874
41532874
33588702
33588702

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Popular Name: (2R)-2-(3-chlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.92 11.37 -69.14 1 6 0 78 426.9 7 ↓
Lo Low (pH 4.5-6) 2.92 10.48 -45.8 2 6 1 75 427.908 7 ↓

Analogs

41532651
41532651
41532654
41532654
41532874
41532874
41532878
41532878
33588702
33588702

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.92 11.8 -72.05 1 6 0 78 426.9 7 ↓
Lo Low (pH 4.5-6) 2.92 10.91 -49.66 2 6 1 75 427.908 7 ↓

Analogs

41532648
41532648
41532881
41532881
41532885
41532885
33588269
33588269
33588271
33588271

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Popular Name: (2R)-2-(4-chlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.94 11.84 -69.73 1 6 0 78 426.9 7 ↓
Lo Low (pH 4.5-6) 2.94 10.96 -49.25 2 6 1 75 427.908 7 ↓

Analogs

41532881
41532881
41532885
41532885
33588269
33588269
33588271
33588271

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Popular Name: (2S)-2-(4-chlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.94 11.37 -67.57 1 6 0 78 426.9 7 ↓
Lo Low (pH 4.5-6) 2.94 10.49 -46.5 2 6 1 75 427.908 7 ↓

Analogs

41532654
41532654
41532890
41532890
41532894
41532894
39849451
39849451
39849452
39849452

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Popular Name: (2R)-2-(3,4-dichlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (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) 3.55 12.3 -66.89 1 6 0 78 461.345 7 ↓
Lo Low (pH 4.5-6) 3.55 11.42 -49.17 2 6 1 75 462.353 7 ↓

Analogs

41532890
41532890
41532894
41532894
39849451
39849451
39849452
39849452
39849539
39849539

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Popular Name: (2S)-2-(3,4-dichlorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (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) 3.55 11.83 -65.64 1 6 0 78 461.345 7 ↓
Lo Low (pH 4.5-6) 3.55 10.95 -47.44 2 6 1 75 462.353 7 ↓

Analogs

41532660
41532660
41532898
41532898
41532902
41532902
39849355
39849355
39849356
39849356

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrro (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) 2.20 11.57 -68.03 1 9 0 124 437.452 8 ↓
Lo Low (pH 4.5-6) 2.20 10.69 -52.23 2 9 1 121 438.46 8 ↓

Analogs

41532898
41532898
41532902
41532902
39849355
39849355
39849356
39849356
39849403
39849403

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrro (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) 2.20 12 -67.03 1 9 0 124 437.452 8 ↓
Lo Low (pH 4.5-6) 2.20 11.12 -51.94 2 9 1 121 438.46 8 ↓

Analogs

41532666
41532666
41532906
41532906
41532910
41532910
33583310
33583310
33583313
33583313

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Popular Name: (2R)-2-(3-bromophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrro (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) 3.05 11.47 -68.92 1 6 0 78 471.351 7 ↓
Lo Low (pH 4.5-6) 3.05 10.59 -45.79 2 6 1 75 472.359 7 ↓

Analogs

41532906
41532906
41532910
41532910
33583310
33583310
33583313
33583313

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Popular Name: (2S)-2-(3-bromophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrro (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) 3.05 11.9 -71.86 1 6 0 78 471.351 7 ↓
Lo Low (pH 4.5-6) 3.05 11.02 -49.7 2 6 1 75 472.359 7 ↓

Analogs

41532672
41532672
41532914
41532914
41532918
41532918
39849357
39849357
39849358
39849358

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrro (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) 2.22 12.03 -72.23 1 9 0 124 437.452 8 ↓
Lo Low (pH 4.5-6) 2.22 11.14 -56.9 2 9 1 121 438.46 8 ↓

Analogs

41532914
41532914
41532918
41532918
39849357
39849357
39849358
39849358
39849405
39849405

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrro (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) 2.22 11.57 -69.33 1 9 0 124 437.452 8 ↓
Lo Low (pH 4.5-6) 2.22 10.68 -53.42 2 9 1 121 438.46 8 ↓

Analogs

41532678
41532678
41532681
41532681
41532685
41532685
41532688
41532688
41532691
41532691

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(p-tolyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-on (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) 2.71 11.53 -68.67 1 6 0 78 406.482 7 ↓
Lo Low (pH 4.5-6) 2.71 10.65 -44.63 2 6 1 75 407.49 7 ↓

Analogs

41532681
41532681
41532685
41532685
41532688
41532688
41532691
41532691
33585827
33585827

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(p-tolyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-on (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) 2.71 11.96 -70.38 1 6 0 78 406.482 7 ↓
Lo Low (pH 4.5-6) 2.71 11.08 -46.86 2 6 1 75 407.49 7 ↓

Analogs

41532685
41532685
41532688
41532688
41532691
41532691
39849519
39849519
39849520
39849520

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Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropylphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-p (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) 3.77 12.78 -68.65 1 6 0 78 434.536 8 ↓
Lo Low (pH 4.5-6) 3.77 11.89 -44.94 2 6 1 75 435.544 8 ↓

Analogs

41532688
41532688
41532691
41532691
39849521
39849521
39849522
39849522
39849523
39849523

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Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropylphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-p (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) 3.77 13.22 -70.34 1 6 0 78 434.536 8 ↓
Lo Low (pH 4.5-6) 3.77 12.33 -46.95 2 6 1 75 435.544 8 ↓

Analogs

41532691
41532691
39849521
39849521
39849522
39849522
39849523
39849523

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Popular Name: (2R)-2-(4-tert-butylphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (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) 3.97 13.18 -68.85 1 6 0 78 448.563 8 ↓
Lo Low (pH 4.5-6) 3.97 12.3 -45.18 2 6 1 75 449.571 8 ↓

Analogs

39849521
39849521
39849522
39849522
39849523
39849523

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Popular Name: (2S)-2-(4-tert-butylphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (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) 3.97 13.61 -70.44 1 6 0 78 448.563 8 ↓
Lo Low (pH 4.5-6) 3.97 12.72 -47.04 2 6 1 75 449.571 8 ↓

Analogs

41532697
41532697
41532946
41532946
41532950
41532950
39849459
39849459
39849460
39849460

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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) 2.43 11.51 -70.73 1 8 0 104 450.491 9 ↓
Lo Low (pH 4.5-6) 2.43 10.63 -50.66 2 8 1 101 451.499 9 ↓

Analogs

41532946
41532946
41532950
41532950
39849459
39849459
39849460
39849460
41532694
41532694

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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) 2.43 11.95 -74.11 1 8 0 104 450.491 9 ↓
Lo Low (pH 4.5-6) 2.43 11.05 -54.43 2 8 1 101 451.499 9 ↓

Analogs

41532723
41532723
41532978
41532978
41532984
41532984
39849409
39849409
39849410
39849410

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 2.27 10.4 -70.01 1 7 0 87 422.481 8 ↓
Lo Low (pH 4.5-6) 2.27 9.52 -43.65 2 7 1 84 423.489 8 ↓

Analogs

41532978
41532978
41532984
41532984
39849409
39849409
39849410
39849410
39849547
39849547

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 2.27 11.39 -56.61 1 7 0 87 422.481 8 ↓
Lo Low (pH 4.5-6) 2.27 10.64 -40.39 2 7 1 84 423.489 8 ↓

Analogs

41532729
41532729
41532988
41532988
41532992
41532992
33584001
33584001
33584005
33584005

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 2.29 10.17 -68.21 1 7 0 87 422.481 8 ↓
Lo Low (pH 4.5-6) 2.29 9.27 -45.15 2 7 1 84 423.489 8 ↓

Analogs

41532988
41532988
41532992
41532992
33584001
33584001
33584005
33584005

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 2.29 10.6 -68.85 1 7 0 87 422.481 8 ↓
Lo Low (pH 4.5-6) 2.29 9.71 -46.47 2 7 1 84 423.489 8 ↓

Analogs

41532735
41532735
41532744
41532744
41532747
41532747
41532996
41532996
39849461
39849461

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.67 11.08 -67.83 1 7 0 87 436.508 9 ↓
Lo Low (pH 4.5-6) 2.67 10.2 -44.83 2 7 1 84 437.516 9 ↓

Analogs

41532744
41532744
41532747
41532747
41532996
41532996
41533000
41533000
39849461
39849461

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.67 11.52 -68.5 1 7 0 87 436.508 9 ↓
Lo Low (pH 4.5-6) 2.67 10.64 -46.2 2 7 1 84 437.516 9 ↓

Analogs

41532741
41532741
41533004
41533004
41533008
41533008

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H- (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) 3.03 11.71 -67.6 1 7 0 87 450.535 9 ↓
Lo Low (pH 4.5-6) 3.03 10.82 -44.52 2 7 1 84 451.543 9 ↓

Analogs

41533004
41533004
41533008
41533008
41532738
41532738

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H- (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) 3.03 12.15 -68.61 1 7 0 87 450.535 9 ↓
Lo Low (pH 4.5-6) 3.03 11.26 -46.22 2 7 1 84 451.543 9 ↓

Analogs

41532747
41532747
41533011
41533011
41533015
41533015
39849461
39849461
39849462
39849462

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-py (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) 2.94 11.67 -67.67 1 7 0 87 448.519 10 ↓
Lo Low (pH 4.5-6) 2.94 10.78 -45.01 2 7 1 84 449.527 10 ↓

Analogs

41533011
41533011
41533015
41533015
39849461
39849461
39849462
39849462
39849463
39849463

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-py (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) 2.94 12.1 -68.38 1 7 0 87 448.519 10 ↓
Lo Low (pH 4.5-6) 2.94 11.22 -46.28 2 7 1 84 449.527 10 ↓

Analogs

41532753
41532753
41533019
41533019
41533023
41533023
39849465
39849465
39849466
39849466

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 3.17 11.89 -67.58 1 7 0 87 450.535 10 ↓
Lo Low (pH 4.5-6) 3.17 11 -44.77 2 7 1 84 451.543 10 ↓

Analogs

41533019
41533019
41533023
41533023
39849465
39849465
39849466
39849466
39849555
39849555

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 3.17 12.32 -68.24 1 7 0 87 450.535 10 ↓
Lo Low (pH 4.5-6) 3.17 11.44 -46.05 2 7 1 84 451.543 10 ↓

Analogs

41532759
41532759
41533027
41533027
41533030
41533030
33588273
33588273
33588275
33588275

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 2.32 10.17 -69.26 1 7 0 87 422.481 8 ↓
Lo Low (pH 4.5-6) 2.32 9.27 -46.18 2 7 1 84 423.489 8 ↓

Analogs

41533027
41533027
41533030
41533030
33588273
33588273
33588275
33588275

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 2.32 10.59 -71.9 1 7 0 87 422.481 8 ↓
Lo Low (pH 4.5-6) 2.32 9.71 -49.34 2 7 1 84 423.489 8 ↓

Analogs

41532765
41532765
41533034
41533034
41533038
41533038
39849467
39849467
39849468
39849468

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.69 11.08 -69.11 1 7 0 87 436.508 9 ↓
Lo Low (pH 4.5-6) 2.69 10.2 -46.1 2 7 1 84 437.516 9 ↓

Analogs

41533034
41533034
41533038
41533038
39849467
39849467
39849468
39849468
39849469
39849469

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrr (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) 2.69 11.53 -71.85 1 7 0 87 436.508 9 ↓
Lo Low (pH 4.5-6) 2.69 10.63 -49.26 2 7 1 84 437.516 9 ↓

Analogs

41532771
41532771
41533042
41533042
41533045
41533045
33582191
33582191
33582195
33582195

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H- (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) 3.06 11.72 -69.28 1 7 0 87 450.535 9 ↓
Lo Low (pH 4.5-6) 3.06 10.82 -46.73 2 7 1 84 451.543 9 ↓

Analogs

41533042
41533042
41533045
41533045
33582191
33582191
33582195
33582195

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H- (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) 3.06 12.14 -70.05 1 7 0 87 450.535 9 ↓
Lo Low (pH 4.5-6) 3.06 11.26 -48.19 2 7 1 84 451.543 9 ↓

Analogs

41532777
41532777
41533049
41533049
41533053
41533053
39849471
39849471
39849472
39849472

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 3.20 11.89 -68.82 1 7 0 87 450.535 10 ↓
Lo Low (pH 4.5-6) 3.20 11 -45.96 2 7 1 84 451.543 10 ↓

Analogs

41533049
41533049
41533053
41533053
39849471
39849471
39849472
39849472
39849561
39849561

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (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) 3.20 12.32 -71.54 1 7 0 87 450.535 10 ↓
Lo Low (pH 4.5-6) 3.20 11.44 -49.02 2 7 1 84 451.543 10 ↓

Analogs

41532783
41532783
41533057
41533057
41533061
41533061
39849469
39849469
39849470
39849470

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-py (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) 2.96 11.67 -69.26 1 7 0 87 448.519 10 ↓
Lo Low (pH 4.5-6) 2.96 10.78 -46.41 2 7 1 84 449.527 10 ↓

Analogs

41533057
41533057
41533061
41533061
39849469
39849469
39849470
39849470
39849559
39849559

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-allyloxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-py (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) 2.96 12.1 -71.75 1 7 0 87 448.519 10 ↓
Lo Low (pH 4.5-6) 2.96 11.22 -49.39 2 7 1 84 449.527 10 ↓

Parameters Provided:

ring.id = 545007
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 = 545007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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