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

Analogs

41543447
41543447
41543506
41543506
41543509
41543509
41543512
41543512
41543515
41543515

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Popular Name: (2R)-4-hydroxy-2-phenyl-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyrr (2R)-4-hydroxy-2-phenyl-1-(2-pyr…

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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 10.43 -71.76 2 6 0 81 407.514 6 ↓
Lo Low (pH 4.5-6) 2.47 9.67 -51.63 3 6 1 78 408.522 6 ↓

Analogs

41543506
41543506
41543509
41543509
41543512
41543512
41543515
41543515
41543518
41543518

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-phenyl-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyrr (2S)-4-hydroxy-2-phenyl-1-(2-pyr…

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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 9.99 -64.11 2 6 0 81 407.514 6 ↓
Lo Low (pH 4.5-6) 2.47 9.23 -44.87 3 6 1 78 408.522 6 ↓

Analogs

41543453
41543453
41543678
41543678
41543679
41543679
41535390
41535390
41535394
41535394

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Popular Name: (2S)-2-(2-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2S)-2-(2-fluorophenyl)-4-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) 2.59 10.47 -64.17 2 6 0 81 425.504 6 ↓
Lo Low (pH 4.5-6) 2.59 9.71 -48.07 3 6 1 78 426.512 6 ↓

Analogs

41543678
41543678
41543679
41543679
41535390
41535390
41535394
41535394
41543450
41543450

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2R)-2-(2-fluorophenyl)-4-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) 2.59 10.14 -66.77 2 6 0 81 425.504 6 ↓
Lo Low (pH 4.5-6) 2.59 9.37 -45.07 3 6 1 78 426.512 6 ↓

Analogs

41543459
41543459
41543682
41543682
41543684
41543684
41535399
41535399
41535403
41535403

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2R)-2-(3-fluorophenyl)-4-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) 2.61 10.49 -69.62 2 6 0 81 425.504 6 ↓
Lo Low (pH 4.5-6) 2.61 9.74 -53.05 3 6 1 78 426.512 6 ↓

Analogs

41543682
41543682
41543684
41543684
41535399
41535399
41535403
41535403
41543456
41543456

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2S)-2-(3-fluorophenyl)-4-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) 2.61 10.07 -62.88 2 6 0 81 425.504 6 ↓
Lo Low (pH 4.5-6) 2.61 9.31 -47.24 3 6 1 78 426.512 6 ↓

Analogs

41543466
41543466
41543687
41543687
41543690
41543690
41535407
41535407
41535411
41535411

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Popular Name: (2R)-2-(4-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2R)-2-(4-fluorophenyl)-4-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) 2.64 10.49 -71.66 2 6 0 81 425.504 6 ↓
Lo Low (pH 4.5-6) 2.64 9.74 -54.77 3 6 1 78 426.512 6 ↓

Analogs

41543687
41543687
41543690
41543690
41535407
41535407
41535411
41535411
41543463
41543463

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2S)-2-(4-fluorophenyl)-4-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) 2.64 10.08 -63.22 2 6 0 81 425.504 6 ↓
Lo Low (pH 4.5-6) 2.64 9.31 -47.41 3 6 1 78 426.512 6 ↓

Analogs

41543472
41543472
41543693
41543693
41543696
41543696
41535416
41535416
41535422
41535422

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Popular Name: (2R)-2-(3-chlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2R)-2-(3-chlorophenyl)-4-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) 3.13 10.94 -69.27 2 6 0 81 441.959 6 ↓
Lo Low (pH 4.5-6) 3.13 10.18 -52.21 3 6 1 78 442.967 6 ↓

Analogs

41543693
41543693
41543696
41543696
41535416
41535416
41535422
41535422
41543469
41543469

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2S)-2-(3-chlorophenyl)-4-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) 3.13 10.51 -62.49 2 6 0 81 441.959 6 ↓
Lo Low (pH 4.5-6) 3.13 9.75 -46.41 3 6 1 78 442.967 6 ↓

Analogs

41543478
41543478
41543699
41543699
41543701
41543701
41535426
41535426
41535431
41535431

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2R)-2-(4-chlorophenyl)-4-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) 3.15 10.94 -70.98 2 6 0 81 441.959 6 ↓
Lo Low (pH 4.5-6) 3.15 10.19 -53.91 3 6 1 78 442.967 6 ↓

Analogs

41543699
41543699
41543701
41543701
41535426
41535426
41535431
41535431
41543475
41543475

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2S)-2-(4-chlorophenyl)-4-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) 3.15 10.53 -62.72 2 6 0 81 441.959 6 ↓
Lo Low (pH 4.5-6) 3.15 9.76 -46.73 3 6 1 78 442.967 6 ↓

Analogs

41543485
41543485
41543704
41543704
41543707
41543707
41535435
41535435
41535440
41535440

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-car (2R)-2-(3,4-dichlorophenyl)-4-hy…

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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) 3.76 11.39 -68.87 2 6 0 81 476.404 6 ↓
Lo Low (pH 4.5-6) 3.76 10.64 -54.62 3 6 1 78 477.412 6 ↓

Analogs

41543704
41543704
41543707
41543707
41535435
41535435
41535440
41535440
41543481
41543481

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-car (2S)-2-(3,4-dichlorophenyl)-4-hy…

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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) 3.76 10.97 -61.37 2 6 0 81 476.404 6 ↓
Lo Low (pH 4.5-6) 3.76 10.21 -48.23 3 6 1 78 477.412 6 ↓

Analogs

41543491
41543491
41543710
41543710
41543713
41543713
41535445
41535445
41535450
41535450

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(3-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (2R)-4-hydroxy-2-(3-nitrophenyl)…

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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) 2.41 11.13 -69.96 2 9 0 126 452.511 7 ↓
Lo Low (pH 4.5-6) 2.41 10.38 -58.18 3 9 1 124 453.519 7 ↓

Analogs

41543710
41543710
41543713
41543713
41535445
41535445
41535450
41535450
41543488
41543488

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(3-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (2S)-4-hydroxy-2-(3-nitrophenyl)…

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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) 2.41 10.7 -64.35 2 9 0 126 452.511 7 ↓
Lo Low (pH 4.5-6) 2.41 9.94 -53.59 3 9 1 124 453.519 7 ↓

Analogs

41543497
41543497
41543716
41543716
41543719
41543719
41535454
41535454
41535458
41535458

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Popular Name: (2R)-2-(3-bromophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (2R)-2-(3-bromophenyl)-4-hydroxy…

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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) 3.26 11.04 -69.1 2 6 0 81 486.41 6 ↓
Lo Low (pH 4.5-6) 3.26 10.28 -52.16 3 6 1 78 487.418 6 ↓

Analogs

41543716
41543716
41543719
41543719
41535454
41535454
41535458
41535458
41543494
41543494

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-bromophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (2S)-2-(3-bromophenyl)-4-hydroxy…

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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) 3.26 10.61 -62.23 2 6 0 81 486.41 6 ↓
Lo Low (pH 4.5-6) 3.26 9.85 -46.43 3 6 1 78 487.418 6 ↓

Analogs

41543503
41543503
41543721
41543721
41543723
41543723
41535461
41535461
41535465
41535465

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(4-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (2R)-4-hydroxy-2-(4-nitrophenyl)…

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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 11.14 -73.47 2 9 0 126 452.511 7 ↓
Lo Low (pH 4.5-6) 2.43 10.38 -61.69 3 9 1 124 453.519 7 ↓

Analogs

41543721
41543721
41543723
41543723
41535461
41535461
41535465
41535465
41543500
41543500

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(4-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (2S)-4-hydroxy-2-(4-nitrophenyl)…

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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 10.71 -64.41 2 9 0 126 452.511 7 ↓
Lo Low (pH 4.5-6) 2.43 9.95 -53.8 3 9 1 124 453.519 7 ↓

Analogs

41543509
41543509
41543512
41543512
41543515
41543515
41543518
41543518
41543521
41543521

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(p-tolyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-p (2R)-4-hydroxy-2-(p-tolyl)-1-(2-…

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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 10.65 -64.19 2 6 0 81 421.541 6 ↓
Lo Low (pH 4.5-6) 2.92 9.89 -44.88 3 6 1 78 422.549 6 ↓

Analogs

41543512
41543512
41543515
41543515
41543518
41543518
41543521
41543521
41535381
41535381

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(p-tolyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-p (2S)-4-hydroxy-2-(p-tolyl)-1-(2-…

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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 11.29 -68.56 2 6 0 81 421.541 6 ↓
Lo Low (pH 4.5-6) 2.92 10.52 -50.2 3 6 1 78 422.549 6 ↓

Analogs

41543515
41543515
41543518
41543518
41543521
41543521
41535476
41535476
41535481
41535481

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(4-isopropylphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carb (2R)-4-hydroxy-2-(4-isopropylphe…

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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) 3.99 12.36 -71.87 2 6 0 81 449.595 7 ↓
Lo Low (pH 4.5-6) 3.99 11.6 -51.66 3 6 1 78 450.603 7 ↓

Analogs

41543518
41543518
41543521
41543521
41543444
41543444
41543447
41543447
41543506
41543506

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(4-isopropylphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carb (2S)-4-hydroxy-2-(4-isopropylphe…

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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) 3.99 11.92 -64.24 2 6 0 81 449.595 7 ↓
Lo Low (pH 4.5-6) 3.99 11.16 -45.15 3 6 1 78 450.603 7 ↓

Analogs

41543521
41543521
41543444
41543444
41543447
41543447
41543506
41543506

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Popular Name: (2R)-2-(4-tert-butylphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-car (2R)-2-(4-tert-butylphenyl)-4-hy…

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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) 4.18 12.75 -71.95 2 6 0 81 463.622 7 ↓
Lo Low (pH 4.5-6) 4.18 11.99 -51.62 3 6 1 78 464.63 7 ↓

Analogs

41543444
41543444
41543447
41543447
41543506
41543506

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-tert-butylphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-car (2S)-2-(4-tert-butylphenyl)-4-hy…

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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) 4.18 12.31 -64.51 2 6 0 81 463.622 7 ↓
Lo Low (pH 4.5-6) 4.18 11.55 -45.43 3 6 1 78 464.63 7 ↓

Analogs

41543527
41543527
41543744
41543744
41543747
41543747
41535495
41535495
41535500
41535500

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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) 2.64 11.06 -75.34 2 8 0 107 465.55 8 ↓
Lo Low (pH 4.5-6) 2.64 10.31 -58.92 3 8 1 104 466.558 8 ↓

Analogs

41543744
41543744
41543747
41543747
41535495
41535495
41543524
41543524
41535500
41535500

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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) 2.64 10.65 -65.92 2 8 0 107 465.55 8 ↓
Lo Low (pH 4.5-6) 2.64 9.87 -50.61 3 8 1 104 466.558 8 ↓

Analogs

41543549
41543549
41543768
41543768
41543771
41543771
41535530
41535530
41535534
41535534

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Popular Name: (2R)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2R)-4-hydroxy-2-(2-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) 2.48 9.79 -63.1 2 7 0 90 437.54 7 ↓
Lo Low (pH 4.5-6) 2.48 9.03 -45.16 3 7 1 87 438.548 7 ↓

Analogs

41543768
41543768
41543771
41543771
41535530
41535530
41535534
41535534
41543546
41543546

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Popular Name: (2S)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2S)-4-hydroxy-2-(2-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) 2.48 9.14 -66.87 2 7 0 90 437.54 7 ↓
Lo Low (pH 4.5-6) 2.48 8.37 -43.59 3 7 1 87 438.548 7 ↓

Analogs

41543555
41543555
41543774
41543774
41543777
41543777
41534833
41534833
41534838
41534838

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Popular Name: (2R)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2R)-4-hydroxy-2-(3-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) 2.51 9.73 -71.33 2 7 0 90 437.54 7 ↓
Lo Low (pH 4.5-6) 2.51 8.97 -52.14 3 7 1 87 438.548 7 ↓

Analogs

41543774
41543774
41543777
41543777
41534833
41534833
41534838
41534838
41535539
41535539

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Popular Name: (2S)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2S)-4-hydroxy-2-(3-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) 2.51 9.3 -64.43 2 7 0 90 437.54 7 ↓
Lo Low (pH 4.5-6) 2.51 8.54 -46.12 3 7 1 87 438.548 7 ↓

Analogs

41543561
41543561
41543564
41543564
41543567
41543567
41543570
41543570
41543573
41543573

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Popular Name: (2R)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2R)-2-(3-ethoxyphenyl)-4-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) 2.88 10.21 -63.84 2 7 0 90 451.567 8 ↓
Lo Low (pH 4.5-6) 2.88 9.44 -45.81 3 7 1 87 452.575 8 ↓

Analogs

41543564
41543564
41543567
41543567
41543570
41543570
41543573
41543573
41535549
41535549

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Popular Name: (2S)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2S)-2-(3-ethoxyphenyl)-4-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) 2.88 10.82 -68.65 2 7 0 90 451.567 8 ↓
Lo Low (pH 4.5-6) 2.88 10.07 -51.17 3 7 1 87 452.575 8 ↓

Analogs

41543567
41543567
41543786
41543786
41543789
41543789
41534852
41534852
41534856
41534856

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Popular Name: (2R)-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-car (2R)-4-hydroxy-2-(3-isopropoxyph…

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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) 3.25 11.28 -71.36 2 7 0 90 465.594 8 ↓
Lo Low (pH 4.5-6) 3.25 10.51 -54.2 3 7 1 87 466.602 8 ↓

Analogs

41543786
41543786
41543789
41543789
41534852
41534852
41534856
41534856
41535557
41535557

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Popular Name: (2S)-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-car (2S)-4-hydroxy-2-(3-isopropoxyph…

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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) 3.25 10.86 -64.08 2 7 0 90 465.594 8 ↓
Lo Low (pH 4.5-6) 3.25 10.06 -46.44 3 7 1 87 466.602 8 ↓

Analogs

41543573
41543573
41543792
41543792
41543795
41543795
41534862
41534862
41534866
41534866

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Popular Name: (2R)-2-(3-allyloxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbo (2R)-2-(3-allyloxyphenyl)-4-hydr…

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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) 3.15 11.24 -70.91 2 7 0 90 463.578 9 ↓
Lo Low (pH 4.5-6) 3.15 10.49 -52.02 3 7 1 87 464.586 9 ↓

Analogs

41543792
41543792
41543795
41543795
41534862
41534862
41534866
41534866
41535568
41535568

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-allyloxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbo (2S)-2-(3-allyloxyphenyl)-4-hydr…

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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) 3.15 10.81 -64.43 2 7 0 90 463.578 9 ↓
Lo Low (pH 4.5-6) 3.15 10.05 -46.31 3 7 1 87 464.586 9 ↓

Analogs

41543579
41543579
41543798
41543798
41543801
41543801
41534871
41534871
41534877
41534877

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Popular Name: (2R)-4-hydroxy-2-(3-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2R)-4-hydroxy-2-(3-propoxypheny…

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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) 3.39 11.02 -63.72 2 7 0 90 465.594 9 ↓
Lo Low (pH 4.5-6) 3.39 10.25 -45.79 3 7 1 87 466.602 9 ↓

Analogs

41543798
41543798
41543801
41543801
41534871
41534871
41534877
41534877
41535576
41535576

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(3-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2S)-4-hydroxy-2-(3-propoxypheny…

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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) 3.39 11.63 -68.43 2 7 0 90 465.594 9 ↓
Lo Low (pH 4.5-6) 3.39 10.87 -51.05 3 7 1 87 466.602 9 ↓

Analogs

41543585
41543585
41543804
41543804
41543807
41543807
41535588
41535588
41535584
41535584

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Popular Name: (2R)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2R)-4-hydroxy-2-(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) 2.53 9.73 -73.41 2 7 0 90 437.54 7 ↓
Lo Low (pH 4.5-6) 2.53 8.97 -54.17 3 7 1 87 438.548 7 ↓

Analogs

41543804
41543804
41543807
41543807
41535588
41535588
41543582
41543582
41535584
41535584

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Popular Name: (2S)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2S)-4-hydroxy-2-(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) 2.53 9.3 -64.67 2 7 0 90 437.54 7 ↓
Lo Low (pH 4.5-6) 2.53 8.54 -46.44 3 7 1 87 438.548 7 ↓

Analogs

41543591
41543591
41543594
41543594
41543597
41543597
41543810
41543810
41543813
41543813

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Popular Name: (2R)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2R)-2-(4-ethoxyphenyl)-4-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) 2.91 10.22 -64.67 2 7 0 90 451.567 8 ↓
Lo Low (pH 4.5-6) 2.91 9.44 -46.49 3 7 1 87 452.575 8 ↓

Analogs

41543594
41543594
41543597
41543597
41543810
41543810
41543813
41543813
41535592
41535592

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Popular Name: (2S)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbony (2S)-2-(4-ethoxyphenyl)-4-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) 2.91 10.84 -69.67 2 7 0 90 451.567 8 ↓
Lo Low (pH 4.5-6) 2.91 10.07 -52.3 3 7 1 87 452.575 8 ↓

Analogs

41543597
41543597
41543816
41543816
41543819
41543819
41535601
41535601
41535606
41535606

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Popular Name: (2R)-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-car (2R)-4-hydroxy-2-(4-isopropoxyph…

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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) 3.27 11.28 -72.55 2 7 0 90 465.594 8 ↓
Lo Low (pH 4.5-6) 3.27 10.53 -53.61 3 7 1 87 466.602 8 ↓

Analogs

41543816
41543816
41543819
41543819
41535601
41535601
41535606
41535606
41543588
41543588

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-car (2S)-4-hydroxy-2-(4-isopropoxyph…

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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) 3.27 10.85 -64.91 2 7 0 90 465.594 8 ↓
Lo Low (pH 4.5-6) 3.27 10.09 -46.52 3 7 1 87 466.602 8 ↓

Analogs

41543603
41543603
41543822
41543822
41543824
41543824
41535611
41535611
41535616
41535616

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Popular Name: (2R)-4-hydroxy-2-(4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2R)-4-hydroxy-2-(4-propoxypheny…

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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) 3.41 11.02 -64.51 2 7 0 90 465.594 9 ↓
Lo Low (pH 4.5-6) 3.41 10.25 -46.45 3 7 1 87 466.602 9 ↓

Analogs

41543822
41543822
41543824
41543824
41535611
41535611
41535616
41535616
41543600
41543600

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Popular Name: (2S)-4-hydroxy-2-(4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbon (2S)-4-hydroxy-2-(4-propoxypheny…

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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) 3.41 11.63 -69.47 2 7 0 90 465.594 9 ↓
Lo Low (pH 4.5-6) 3.41 10.88 -52.11 3 7 1 87 466.602 9 ↓

Analogs

41543610
41543610
41543827
41543827
41543830
41543830
41535621
41535621
41535627
41535627

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Popular Name: (2R)-2-(4-allyloxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbo (2R)-2-(4-allyloxyphenyl)-4-hydr…

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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) 3.18 11.24 -73.52 2 7 0 90 463.578 9 ↓
Lo Low (pH 4.5-6) 3.18 10.48 -54.32 3 7 1 87 464.586 9 ↓

Analogs

41543827
41543827
41543830
41543830
41535621
41535621
41535627
41535627
41543606
41543606

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-allyloxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbo (2S)-2-(4-allyloxyphenyl)-4-hydr…

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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) 3.18 10.81 -64.41 2 7 0 90 463.578 9 ↓
Lo Low (pH 4.5-6) 3.18 10.05 -46.35 3 7 1 87 464.586 9 ↓

Parameters Provided:

ring.id = 546609
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 = 546609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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