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

Analogs

41534678
41534678
41534760
41534760
41534765
41534765
41534770
41534770
41534775
41534775

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Popular Name: (2R)-4-hydroxy-1-(2-morpholinoethyl)-2-phenyl-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyrrol-5- (2R)-4-hydroxy-1-(2-morpholinoet…

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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) 1.92 6.45 -60.61 1 7 -1 89 422.505 6 ↓
Mid Mid (pH 6-8) 1.92 8.72 -72.99 2 7 0 90 423.513 6 ↓
Lo Low (pH 4.5-6) 1.92 7.96 -54.56 3 7 1 87 424.521 6 ↓

Analogs

41534760
41534760
41534765
41534765
41534770
41534770
41534775
41534775
41534781
41534781

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Popular Name: (2S)-4-hydroxy-1-(2-morpholinoethyl)-2-phenyl-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H-pyrrol-5- (2S)-4-hydroxy-1-(2-morpholinoet…

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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) 1.92 6.01 -58.63 1 7 -1 89 422.505 6 ↓
Mid Mid (pH 6-8) 1.92 8.27 -65.59 2 7 0 90 423.513 6 ↓
Lo Low (pH 4.5-6) 1.92 7.51 -48.11 3 7 1 87 424.521 6 ↓

Analogs

41534688
41534688
41535390
41535390
41535394
41535394

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Popular Name: (2S)-2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.03 6.48 -58.08 1 7 -1 89 440.495 6 ↓
Mid Mid (pH 6-8) 2.03 8.75 -66.36 2 7 0 90 441.503 6 ↓
Lo Low (pH 4.5-6) 2.03 7.99 -51.48 3 7 1 87 442.511 6 ↓

Analogs

41535390
41535390
41535394
41535394
41534683
41534683

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Popular Name: (2R)-2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.03 6.16 -63.34 1 7 -1 89 440.495 6 ↓
Mid Mid (pH 6-8) 2.03 8.44 -67.7 2 7 0 90 441.503 6 ↓
Lo Low (pH 4.5-6) 2.03 7.67 -47.88 3 7 1 87 442.511 6 ↓

Analogs

41534697
41534697

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Popular Name: (2R)-2-(3-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.06 6.5 -57.58 1 7 -1 89 440.495 6 ↓
Mid Mid (pH 6-8) 2.06 8.77 -72.2 2 7 0 90 441.503 6 ↓
Lo Low (pH 4.5-6) 2.06 8.02 -56.78 3 7 1 87 442.511 6 ↓

Analogs

41534693
41534693

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Popular Name: (2S)-2-(3-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.06 6.1 -54.76 1 7 -1 89 440.495 6 ↓
Mid Mid (pH 6-8) 2.06 8.35 -64.58 2 7 0 90 441.503 6 ↓
Lo Low (pH 4.5-6) 2.06 7.59 -50.76 3 7 1 87 442.511 6 ↓

Analogs

41534707
41534707

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Popular Name: (2R)-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.08 6.51 -57.56 1 7 -1 89 440.495 6 ↓
Mid Mid (pH 6-8) 2.08 8.78 -73 2 7 0 90 441.503 6 ↓
Lo Low (pH 4.5-6) 2.08 8.03 -57.83 3 7 1 87 442.511 6 ↓

Analogs

41534701
41534701

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.08 6.1 -56.03 1 7 -1 89 440.495 6 ↓
Mid Mid (pH 6-8) 2.08 8.36 -65.06 2 7 0 90 441.503 6 ↓
Lo Low (pH 4.5-6) 2.08 7.59 -51.17 3 7 1 87 442.511 6 ↓

Analogs

41534714
41534714

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Popular Name: (2R)-2-(3-chlorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.57 6.95 -57.58 1 7 -1 89 456.95 6 ↓
Mid Mid (pH 6-8) 2.57 9.23 -71.87 2 7 0 90 457.958 6 ↓
Lo Low (pH 4.5-6) 2.57 8.46 -55.99 3 7 1 87 458.966 6 ↓

Analogs

41534711
41534711

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chlorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.57 6.53 -54.83 1 7 -1 89 456.95 6 ↓
Mid Mid (pH 6-8) 2.57 8.8 -64.16 2 7 0 90 457.958 6 ↓
Lo Low (pH 4.5-6) 2.57 8.03 -49.93 3 7 1 87 458.966 6 ↓

Analogs

41534721
41534721

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.60 6.96 -57.47 1 7 -1 89 456.95 6 ↓
Mid Mid (pH 6-8) 2.60 9.24 -72.3 2 7 0 90 457.958 6 ↓
Lo Low (pH 4.5-6) 2.60 8.48 -56.86 3 7 1 87 458.966 6 ↓

Analogs

41534717
41534717

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Popular Name: (2S)-2-(4-chlorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.60 6.55 -55.79 1 7 -1 89 456.95 6 ↓
Mid Mid (pH 6-8) 2.60 8.81 -64.56 2 7 0 90 457.958 6 ↓
Lo Low (pH 4.5-6) 2.60 8.04 -50.38 3 7 1 87 458.966 6 ↓

Analogs

41534730
41534730

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (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) 3.20 7.41 -54.46 1 7 -1 89 491.395 6 ↓
Mid Mid (pH 6-8) 3.20 9.69 -70.33 2 7 0 90 492.403 6 ↓
Lo Low (pH 4.5-6) 3.20 8.94 -57.74 3 7 1 87 493.411 6 ↓

Analogs

41534725
41534725

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (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) 3.20 7 -52.97 1 7 -1 89 491.395 6 ↓
Mid Mid (pH 6-8) 3.20 9.26 -63.56 2 7 0 90 492.403 6 ↓
Lo Low (pH 4.5-6) 3.20 8.49 -51.47 3 7 1 87 493.411 6 ↓

Analogs

41534739
41534739

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 7.15 -55.91 1 10 -1 135 467.502 7 ↓
Mid Mid (pH 6-8) 1.85 9.41 -72.66 2 10 0 136 468.51 7 ↓
Lo Low (pH 4.5-6) 1.85 8.66 -62.11 3 10 1 133 469.518 7 ↓

Analogs

41534735
41534735

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 6.72 -52.91 1 10 -1 135 467.502 7 ↓
Mid Mid (pH 6-8) 1.85 8.98 -66.48 2 10 0 136 468.51 7 ↓
Lo Low (pH 4.5-6) 1.85 8.22 -57.52 3 10 1 133 469.518 7 ↓

Analogs

41534748
41534748

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Popular Name: (2R)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H- (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) 2.70 7.06 -57.46 1 7 -1 89 501.401 6 ↓
Mid Mid (pH 6-8) 2.70 9.33 -71.72 2 7 0 90 502.409 6 ↓
Lo Low (pH 4.5-6) 2.70 8.56 -55.95 3 7 1 87 503.417 6 ↓

Analogs

41534744
41534744

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Popular Name: (2S)-2-(3-bromophenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H- (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) 2.70 6.64 -54.71 1 7 -1 89 501.401 6 ↓
Mid Mid (pH 6-8) 2.70 8.9 -63.99 2 7 0 90 502.409 6 ↓
Lo Low (pH 4.5-6) 2.70 8.13 -49.9 3 7 1 87 503.417 6 ↓

Analogs

41534756
41534756

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 7.17 -56.3 1 10 -1 135 467.502 7 ↓
Mid Mid (pH 6-8) 1.88 9.43 -75.08 2 10 0 136 468.51 7 ↓
Lo Low (pH 4.5-6) 1.88 8.67 -64.9 3 10 1 133 469.518 7 ↓

Analogs

41534752
41534752

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 6.73 -54.97 1 10 -1 135 467.502 7 ↓
Mid Mid (pH 6-8) 1.88 9 -66.92 2 10 0 136 468.51 7 ↓
Lo Low (pH 4.5-6) 1.88 8.22 -58.1 3 10 1 133 469.518 7 ↓

Analogs

41534765
41534765
41534770
41534770
41534775
41534775
41534781
41534781
41534785
41534785

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 6.65 -59.8 1 7 -1 89 436.532 6 ↓
Mid Mid (pH 6-8) 2.37 8.92 -66.18 2 7 0 90 437.54 6 ↓
Lo Low (pH 4.5-6) 2.37 8.17 -47.85 3 7 1 87 438.548 6 ↓

Analogs

41534770
41534770
41534775
41534775
41534781
41534781
41534785
41534785
41534673
41534673

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 7.3 -59.4 1 7 -1 89 436.532 6 ↓
Mid Mid (pH 6-8) 2.37 9.56 -71.31 2 7 0 90 437.54 6 ↓
Lo Low (pH 4.5-6) 2.37 8.8 -54.1 3 7 1 87 438.548 6 ↓

Analogs

41534775
41534775
41534781
41534781
41534785
41534785
41534673
41534673
41534678
41534678

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Popular Name: (2R)-4-hydroxy-2-(4-isopropylphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl) (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) 3.43 8.38 -60.72 1 7 -1 89 464.586 7 ↓
Mid Mid (pH 6-8) 3.43 10.65 -73.2 2 7 0 90 465.594 7 ↓
Lo Low (pH 4.5-6) 3.43 9.89 -54.54 3 7 1 87 466.602 7 ↓

Analogs

41534781
41534781
41534785
41534785
41534673
41534673
41534678
41534678
41534760
41534760

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Popular Name: (2S)-4-hydroxy-2-(4-isopropylphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl) (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) 3.43 7.94 -58.84 1 7 -1 89 464.586 7 ↓
Mid Mid (pH 6-8) 3.43 10.2 -65.64 2 7 0 90 465.594 7 ↓
Lo Low (pH 4.5-6) 3.43 9.44 -48.36 3 7 1 87 466.602 7 ↓

Analogs

41534785
41534785
41534673
41534673
41534678
41534678
41534760
41534760

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Popular Name: (2R)-2-(4-tert-butylphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (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) 3.62 8.77 -60.83 1 7 -1 89 478.613 7 ↓
Mid Mid (pH 6-8) 3.62 11.04 -73.17 2 7 0 90 479.621 7 ↓
Lo Low (pH 4.5-6) 3.62 10.28 -54.54 3 7 1 87 480.629 7 ↓

Analogs

41534673
41534673
41534678
41534678
41534760
41534760

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-tert-butylphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (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) 3.62 8.34 -58.95 1 7 -1 89 478.613 7 ↓
Mid Mid (pH 6-8) 3.62 10.59 -65.79 2 7 0 90 479.621 7 ↓
Lo Low (pH 4.5-6) 3.62 9.83 -48.58 3 7 1 87 480.629 7 ↓

Analogs

41534794
41534794
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) 2.09 7.09 -61.16 1 9 -1 115 480.541 8 ↓
Mid Mid (pH 6-8) 2.09 9.35 -76.74 2 9 0 116 481.549 8 ↓
Lo Low (pH 4.5-6) 2.09 8.6 -62.02 3 9 1 113 482.557 8 ↓

Analogs

41535495
41535495
41535500
41535500
41534790
41534790

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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) 2.09 6.66 -59.78 1 9 -1 115 480.541 8 ↓
Mid Mid (pH 6-8) 2.09 8.92 -67.86 2 9 0 116 481.549 8 ↓
Lo Low (pH 4.5-6) 2.09 8.15 -54.45 3 9 1 113 482.557 8 ↓

Analogs

41534828
41534828
41535530
41535530
41535534
41535534

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Popular Name: (2R)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (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) 1.93 5.81 -58.44 1 8 -1 98 452.531 7 ↓
Mid Mid (pH 6-8) 1.93 8.08 -64.55 2 8 0 99 453.539 7 ↓
Lo Low (pH 4.5-6) 1.93 7.32 -48.15 3 8 1 96 454.547 7 ↓

Analogs

41535530
41535530
41535534
41535534
41534825
41534825

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Popular Name: (2S)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (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) 1.93 5.91 -60.82 1 8 -1 98 452.531 7 ↓
Mid Mid (pH 6-8) 1.93 8.22 -67.92 2 8 0 99 453.539 7 ↓
Lo Low (pH 4.5-6) 1.93 7.45 -48.48 3 8 1 96 454.547 7 ↓

Analogs

41534838
41534838
41535539
41535539
41535544
41535544
41543552
41543552
41543555
41543555

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Popular Name: (2R)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (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) 1.95 5.74 -61.07 1 8 -1 98 452.531 7 ↓
Mid Mid (pH 6-8) 1.95 8.01 -73.76 2 8 0 99 453.539 7 ↓
Lo Low (pH 4.5-6) 1.95 7.25 -55.78 3 8 1 96 454.547 7 ↓

Analogs

41535539
41535539
41535544
41535544
41543552
41543552
41543555
41543555
41543774
41543774

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Popular Name: (2S)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (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) 1.95 5.32 -58.38 1 8 -1 98 452.531 7 ↓
Mid Mid (pH 6-8) 1.95 7.58 -65.94 2 8 0 99 453.539 7 ↓
Lo Low (pH 4.5-6) 1.95 6.82 -49.43 3 8 1 96 454.547 7 ↓

Analogs

41534848
41534848
41534852
41534852
41534856
41534856
41534862
41534862
41534866
41534866

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Popular Name: (2R)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.33 6.21 -58.07 1 8 -1 98 466.558 8 ↓
Mid Mid (pH 6-8) 2.33 8.48 -65.35 2 8 0 99 467.566 8 ↓
Lo Low (pH 4.5-6) 2.33 7.71 -49.04 3 8 1 96 468.574 8 ↓

Analogs

41534852
41534852
41534856
41534856
41534862
41534862
41534866
41534866
41535549
41535549

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.33 6.84 -59.31 1 8 -1 98 466.558 8 ↓
Mid Mid (pH 6-8) 2.33 9.11 -71.42 2 8 0 99 467.566 8 ↓
Lo Low (pH 4.5-6) 2.33 8.35 -55.06 3 8 1 96 468.574 8 ↓

Analogs

41534856
41534856
41535557
41535557
41535562
41535562
41543564
41543564
41543567
41543567

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Popular Name: (2R)-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (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) 2.69 7.28 -60.2 1 8 -1 98 480.585 8 ↓
Mid Mid (pH 6-8) 2.69 9.57 -72.7 2 8 0 99 481.593 8 ↓
Lo Low (pH 4.5-6) 2.69 8.8 -57.09 3 8 1 96 482.601 8 ↓

Analogs

41535557
41535557
41535562
41535562
41543564
41543564
41543567
41543567
41543786
41543786

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Popular Name: (2S)-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (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) 2.69 6.84 -57.52 1 8 -1 98 480.585 8 ↓
Mid Mid (pH 6-8) 2.69 9.13 -65.46 2 8 0 99 481.593 8 ↓
Lo Low (pH 4.5-6) 2.69 8.34 -50.15 3 8 1 96 482.601 8 ↓

Analogs

41534866
41534866
41535568
41535568
41535572
41535572
41543570
41543570
41543573
41543573

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Popular Name: (2R)-2-(3-allyloxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)- (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) 2.59 7.25 -60.86 1 8 -1 98 478.569 9 ↓
Mid Mid (pH 6-8) 2.59 9.52 -73.37 2 8 0 99 479.577 9 ↓
Lo Low (pH 4.5-6) 2.59 8.77 -55.7 3 8 1 96 480.585 9 ↓

Analogs

41535568
41535568
41535572
41535572
41543570
41543570
41543573
41543573
41543792
41543792

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Popular Name: (2S)-2-(3-allyloxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)- (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) 2.59 6.83 -58.18 1 8 -1 98 478.569 9 ↓
Mid Mid (pH 6-8) 2.59 9.09 -65.9 2 8 0 99 479.577 9 ↓
Lo Low (pH 4.5-6) 2.59 8.33 -49.53 3 8 1 96 480.585 9 ↓

Analogs

41534877
41534877
41535576
41535576
41535580
41535580
41543576
41543576
41543579
41543579

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Popular Name: (2R)-4-hydroxy-1-(2-morpholinoethyl)-2-(3-propoxyphenyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (2R)-4-hydroxy-1-(2-morpholinoet…

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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) 2.83 7.01 -57.83 1 8 -1 98 480.585 9 ↓
Mid Mid (pH 6-8) 2.83 9.29 -65.17 2 8 0 99 481.593 9 ↓
Lo Low (pH 4.5-6) 2.83 8.52 -48.84 3 8 1 96 482.601 9 ↓

Analogs

41535576
41535576
41535580
41535580
41543576
41543576
41543579
41543579
41543798
41543798

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Popular Name: (2S)-4-hydroxy-1-(2-morpholinoethyl)-2-(3-propoxyphenyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (2S)-4-hydroxy-1-(2-morpholinoet…

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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) 2.83 7.64 -59.04 1 8 -1 98 480.585 9 ↓
Mid Mid (pH 6-8) 2.83 9.9 -71.26 2 8 0 99 481.593 9 ↓
Lo Low (pH 4.5-6) 2.83 9.15 -54.91 3 8 1 96 482.601 9 ↓

Analogs

41534887
41534887
41535584
41535584
41535588
41535588

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Popular Name: (2R)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (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) 1.97 5.75 -61.27 1 8 -1 98 452.531 7 ↓
Mid Mid (pH 6-8) 1.97 8.02 -74.71 2 8 0 99 453.539 7 ↓
Lo Low (pH 4.5-6) 1.97 7.27 -56.99 3 8 1 96 454.547 7 ↓

Analogs

41535584
41535584
41535588
41535588
41534882
41534882

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Popular Name: (2S)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (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) 1.97 5.32 -59.64 1 8 -1 98 452.531 7 ↓
Mid Mid (pH 6-8) 1.97 7.58 -66.39 2 8 0 99 453.539 7 ↓
Lo Low (pH 4.5-6) 1.97 6.82 -49.88 3 8 1 96 454.547 7 ↓

Analogs

41534896
41534896
41534900
41534900
41534906
41534906
41535592
41535592
41535596
41535596

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Popular Name: (2R)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.35 6.22 -59.86 1 8 -1 98 466.558 8 ↓
Mid Mid (pH 6-8) 2.35 8.48 -66.48 2 8 0 99 467.566 8 ↓
Lo Low (pH 4.5-6) 2.35 7.71 -49.28 3 8 1 96 468.574 8 ↓

Analogs

41534900
41534900
41534906
41534906
41535592
41535592
41535596
41535596
41534892
41534892

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Popular Name: (2S)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2H (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) 2.35 6.86 -59.43 1 8 -1 98 466.558 8 ↓
Mid Mid (pH 6-8) 2.35 9.12 -72.56 2 8 0 99 467.566 8 ↓
Lo Low (pH 4.5-6) 2.35 8.36 -56.2 3 8 1 96 468.574 8 ↓

Analogs

41534906
41534906
41535601
41535601
41535606
41535606
41534892
41534892
41534896
41534896

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Popular Name: (2R)-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (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) 2.71 7.3 -60.45 1 8 -1 98 480.585 8 ↓
Mid Mid (pH 6-8) 2.71 9.55 -73.45 2 8 0 99 481.593 8 ↓
Lo Low (pH 4.5-6) 2.71 8.8 -56.26 3 8 1 96 482.601 8 ↓

Analogs

41535601
41535601
41535606
41535606
41534892
41534892
41534896
41534896
41534900
41534900

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Popular Name: (2S)-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl (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) 2.71 6.87 -59.78 1 8 -1 98 480.585 8 ↓
Mid Mid (pH 6-8) 2.71 9.1 -65.76 2 8 0 99 481.593 8 ↓
Lo Low (pH 4.5-6) 2.71 8.34 -50.19 3 8 1 96 482.601 8 ↓

Analogs

41534916
41534916
41535611
41535611
41535616
41535616

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Popular Name: (2R)-4-hydroxy-1-(2-morpholinoethyl)-2-(4-propoxyphenyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (2R)-4-hydroxy-1-(2-morpholinoet…

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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) 2.85 7.02 -59.67 1 8 -1 98 480.585 9 ↓
Mid Mid (pH 6-8) 2.85 9.29 -66.27 2 8 0 99 481.593 9 ↓
Lo Low (pH 4.5-6) 2.85 8.51 -49.16 3 8 1 96 482.601 9 ↓

Analogs

41535611
41535611
41535616
41535616
41534911
41534911

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Popular Name: (2S)-4-hydroxy-1-(2-morpholinoethyl)-2-(4-propoxyphenyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)-2 (2S)-4-hydroxy-1-(2-morpholinoet…

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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) 2.85 7.65 -59.19 1 8 -1 98 480.585 9 ↓
Mid Mid (pH 6-8) 2.85 9.91 -72.35 2 8 0 99 481.593 9 ↓
Lo Low (pH 4.5-6) 2.85 9.16 -55.98 3 8 1 96 482.601 9 ↓

Analogs

41534923
41534923
41535621
41535621
41535627
41535627

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Popular Name: (2R)-2-(4-allyloxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)- (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) 2.62 7.26 -61.17 1 8 -1 98 478.569 9 ↓
Mid Mid (pH 6-8) 2.62 9.53 -74.85 2 8 0 99 479.577 9 ↓
Lo Low (pH 4.5-6) 2.62 8.78 -57.22 3 8 1 96 480.585 9 ↓

Analogs

41535621
41535621
41535627
41535627
41534920
41534920

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Popular Name: (2S)-2-(4-allyloxyphenyl)-4-hydroxy-1-(2-morpholinoethyl)-3-(2,4,5-trimethyl-1H-pyrrole-3-carbonyl)- (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) 2.62 6.83 -59.4 1 8 -1 98 478.569 9 ↓
Mid Mid (pH 6-8) 2.62 9.09 -66.15 2 8 0 99 479.577 9 ↓
Lo Low (pH 4.5-6) 2.62 8.33 -49.88 3 8 1 96 480.585 9 ↓

Parameters Provided:

ring.id = 545312
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 = 545312 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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