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

Analogs

41541375
41541375
41541441
41541441
41541444
41541444
41541613
41541613
41541616
41541616

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Popular Name: (2R)-4-hydroxy-2-phenyl-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol- (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) 1.63 9.64 -67.45 1 7 0 83 408.502 6 ↓
Lo Low (pH 4.5-6) 1.63 8.88 -48.15 2 7 1 80 409.51 6 ↓

Analogs

41541441
41541441
41541444
41541444
41541613
41541613
41541616
41541616
13732488
13732488

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-phenyl-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrrol- (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) 1.63 9.22 -62.62 1 7 0 83 408.502 6 ↓
Lo Low (pH 4.5-6) 1.63 8.45 -43.74 2 7 1 80 409.51 6 ↓

Analogs

41541381
41541381
41541618
41541618
41541621
41541621
13718579
13718579
13718583
13718583

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Popular Name: (2S)-2-(2-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 1.75 9.69 -62.78 1 7 0 83 426.492 6 ↓
Lo Low (pH 4.5-6) 1.75 8.92 -46.63 2 7 1 80 427.5 6 ↓

Analogs

41541618
41541618
41541621
41541621
13718579
13718579
13718583
13718583

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 1.75 9.35 -65.4 1 7 0 83 426.492 6 ↓
Lo Low (pH 4.5-6) 1.75 8.59 -44.01 2 7 1 80 427.5 6 ↓

Analogs

41541388
41541388
41541624
41541624
41541627
41541627
20713899
20713899
20713903
20713903

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 1.77 9.71 -65.44 1 7 0 83 426.492 6 ↓
Lo Low (pH 4.5-6) 1.77 8.97 -49.65 2 7 1 80 427.5 6 ↓

Analogs

41541624
41541624
41541627
41541627
20713899
20713899
20713903
20713903

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 1.77 9.29 -61.47 1 7 0 83 426.492 6 ↓
Lo Low (pH 4.5-6) 1.77 8.53 -46.16 2 7 1 80 427.5 6 ↓

Analogs

41541401
41541401
41541630
41541630
41541633
41541633
13690444
13690444
13690445
13690445

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Popular Name: (2R)-2-(4-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 1.80 9.71 -67.34 1 7 0 83 426.492 6 ↓
Lo Low (pH 4.5-6) 1.80 8.95 -51.32 2 7 1 80 427.5 6 ↓

Analogs

41541630
41541630
41541633
41541633
41541391
41541391
13690444
13690444
13690445
13690445

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 1.80 9.29 -61.71 1 7 0 83 426.492 6 ↓
Lo Low (pH 4.5-6) 1.80 8.54 -46.31 2 7 1 80 427.5 6 ↓

Analogs

41541408
41541408
41541417
41541417
41541420
41541420
41541635
41541635
41541638
41541638

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Popular Name: (2R)-2-(3-chlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 2.29 10.15 -65.09 1 7 0 83 442.947 6 ↓
Lo Low (pH 4.5-6) 2.29 9.39 -48.9 2 7 1 80 443.955 6 ↓

Analogs

41541417
41541417
41541635
41541635
41541638
41541638
13725819
13725819
13725823
13725823

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 2.29 9.73 -61.01 1 7 0 83 442.947 6 ↓
Lo Low (pH 4.5-6) 2.29 8.96 -45.4 2 7 1 80 443.955 6 ↓

Analogs

41541414
41541414
41541641
41541641
41541644
41541644
13720387
13720387
13720388
13720388

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 2.31 10.16 -66.64 1 7 0 83 442.947 6 ↓
Lo Low (pH 4.5-6) 2.31 9.42 -50.46 2 7 1 80 443.955 6 ↓

Analogs

41541641
41541641
41541644
41541644
13720387
13720387
13720388
13720388

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 2.31 9.74 -61.26 1 7 0 83 442.947 6 ↓
Lo Low (pH 4.5-6) 2.31 8.98 -45.57 2 7 1 80 443.955 6 ↓

Analogs

41541420
41541420
41541648
41541648
41541651
41541651
13725819
13725819
13725823
13725823

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbon (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) 2.92 10.61 -64.69 1 7 0 83 477.392 6 ↓
Lo Low (pH 4.5-6) 2.92 9.86 -51.24 2 7 1 80 478.4 6 ↓

Analogs

41541648
41541648
41541651
41541651
41541417
41541417
13693576
13693576
13693578
13693578

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbon (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) 2.92 10.19 -59.96 1 7 0 83 477.392 6 ↓
Lo Low (pH 4.5-6) 2.92 9.44 -47.13 2 7 1 80 478.4 6 ↓

Analogs

41541426
41541426
41541654
41541654
41541657
41541657

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(3-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2 (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) 1.57 10.35 -65.8 1 10 0 129 453.499 7 ↓
Lo Low (pH 4.5-6) 1.57 9.58 -54.88 2 10 1 126 454.507 7 ↓

Analogs

41541654
41541654
41541657
41541657
41541423
41541423

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(3-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2 (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) 1.57 9.93 -63.07 1 10 0 129 453.499 7 ↓
Lo Low (pH 4.5-6) 1.57 9.16 -52.63 2 10 1 126 454.507 7 ↓

Analogs

41541432
41541432
41541659
41541659
41541662
41541662

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-bromophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2 (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) 2.42 10.26 -64.96 1 7 0 83 487.398 6 ↓
Lo Low (pH 4.5-6) 2.42 9.49 -48.81 2 7 1 80 488.406 6 ↓

Analogs

41541659
41541659
41541662
41541662
41541429
41541429

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-bromophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2 (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) 2.42 9.84 -60.85 1 7 0 83 487.398 6 ↓
Lo Low (pH 4.5-6) 2.42 9.06 -45.4 2 7 1 80 488.406 6 ↓

Analogs

41541438
41541438
41541665
41541665
41541668
41541668

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(4-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2 (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) 1.59 10.36 -69.17 1 10 0 129 453.499 7 ↓
Lo Low (pH 4.5-6) 1.59 9.59 -58.05 2 10 1 126 454.507 7 ↓

Analogs

41541665
41541665
41541668
41541668
41541435
41541435

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(4-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2 (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) 1.59 9.94 -62.96 1 10 0 129 453.499 7 ↓
Lo Low (pH 4.5-6) 1.59 9.17 -52.65 2 10 1 126 454.507 7 ↓

Analogs

41541444
41541444
41541671
41541671
41541673
41541673
13732488
13732488
13732491
13732491

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(p-tolyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrr (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) 2.08 9.89 -62.85 1 7 0 83 422.529 6 ↓
Lo Low (pH 4.5-6) 2.08 9.13 -43.79 2 7 1 80 423.537 6 ↓

Analogs

41541613
41541613
41541616
41541616
41541671
41541671
41541673
41541673
13732488
13732488

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(p-tolyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)-2H-pyrr (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) 2.08 10.52 -65.12 1 7 0 83 422.529 6 ↓
Lo Low (pH 4.5-6) 2.08 9.77 -47.34 2 7 1 80 423.537 6 ↓

Analogs

41541450
41541450
41541453
41541453
41541456
41541456
41541676
41541676
41541679
41541679

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-2-(4-isopropylphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbony (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) 3.14 11.57 -67.54 1 7 0 83 450.583 7 ↓
Lo Low (pH 4.5-6) 3.14 10.81 -48.16 2 7 1 80 451.591 7 ↓

Analogs

41541453
41541453
41541456
41541456
41541676
41541676
41541679
41541679
41541682
41541682

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-2-(4-isopropylphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbony (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) 3.14 11.15 -62.64 1 7 0 83 450.583 7 ↓
Lo Low (pH 4.5-6) 3.14 10.38 -43.96 2 7 1 80 451.591 7 ↓

Analogs

41541456
41541456
41541676
41541676
41541679
41541679
41541682
41541682
41541685
41541685

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Popular Name: (2R)-2-(4-tert-butylphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbon (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) 3.34 11.96 -67.58 1 7 0 83 464.61 7 ↓
Lo Low (pH 4.5-6) 3.34 11.2 -48.11 2 7 1 80 465.618 7 ↓

Analogs

41541676
41541676
41541679
41541679
41541682
41541682
41541685
41541685
13724746
13724746

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-tert-butylphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbon (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) 3.34 11.54 -62.77 1 7 0 83 464.61 7 ↓
Lo Low (pH 4.5-6) 3.34 10.77 -44.19 2 7 1 80 465.618 7 ↓

Analogs

41541462
41541462
41541688
41541688
41541691
41541691
13726578
13726578
13726581
13726581

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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) 1.80 10.28 -70.89 1 9 0 109 466.538 8 ↓
Lo Low (pH 4.5-6) 1.80 9.53 -55.41 2 9 1 106 467.546 8 ↓

Analogs

41541688
41541688
41541691
41541691
13726578
13726578
13726581
13726581
41541459
41541459

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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) 1.80 9.85 -64.39 1 9 0 109 466.538 8 ↓
Lo Low (pH 4.5-6) 1.80 9.07 -49.44 2 9 1 106 467.546 8 ↓

Analogs

41541485
41541485
41541712
41541712
41541715
41541715
13721912
13721912
13721917
13721917

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Popular Name: (2R)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 1.64 9.02 -62.91 1 8 0 92 438.528 7 ↓
Lo Low (pH 4.5-6) 1.64 8.26 -44.9 2 8 1 89 439.536 7 ↓

Analogs

41541712
41541712
41541715
41541715
13721912
13721912
13721917
13721917
13723636
13723636

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Popular Name: (2S)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 1.64 8.36 -65.01 1 8 0 92 438.528 7 ↓
Lo Low (pH 4.5-6) 1.64 7.59 -42.52 2 8 1 89 439.536 7 ↓

Analogs

41541492
41541492
41541719
41541719
41541722
41541722
13720045
13720045
13720048
13720048

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Popular Name: (2R)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 1.66 8.94 -66.95 1 8 0 92 438.528 7 ↓
Lo Low (pH 4.5-6) 1.66 8.19 -48.7 2 8 1 89 439.536 7 ↓

Analogs

41541719
41541719
41541722
41541722
13720045
13720045
13720048
13720048

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Popular Name: (2S)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 1.66 8.52 -62.88 1 8 0 92 438.528 7 ↓
Lo Low (pH 4.5-6) 1.66 7.76 -45.02 2 8 1 89 439.536 7 ↓

Analogs

41541498
41541498
41541501
41541501
41541504
41541504
41541507
41541507
41541510
41541510

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Popular Name: (2R)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 2.04 9.44 -62.42 1 8 0 92 452.555 8 ↓
Lo Low (pH 4.5-6) 2.04 8.67 -44.65 2 8 1 89 453.563 8 ↓

Analogs

41541501
41541501
41541504
41541504
41541507
41541507
41541510
41541510
41541724
41541724

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Popular Name: (2S)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 2.04 10.07 -65.14 1 8 0 92 452.555 8 ↓
Lo Low (pH 4.5-6) 2.04 9.31 -48.19 2 8 1 89 453.563 8 ↓

Analogs

41541504
41541504
41541730
41541730
41541733
41541733
13729726
13729726
13729729
13729729

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Popular Name: (2R)-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbon (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) 2.40 10.48 -67.83 1 8 0 92 466.582 8 ↓
Lo Low (pH 4.5-6) 2.40 9.73 -50.25 2 8 1 89 467.59 8 ↓

Analogs

41541730
41541730
41541733
41541733
13729726
13729726
13729729
13729729
41541495
41541495

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Popular Name: (2S)-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbon (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) 2.40 10.04 -61.84 1 8 0 92 466.582 8 ↓
Lo Low (pH 4.5-6) 2.40 9.26 -45.32 2 8 1 89 467.59 8 ↓

Analogs

41541510
41541510
41541736
41541736
41541740
41541740
41541495
41541495
41541498
41541498

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Popular Name: (2R)-2-(3-allyloxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-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) 2.31 10.46 -66.57 1 8 0 92 464.566 9 ↓
Lo Low (pH 4.5-6) 2.31 9.71 -48.53 2 8 1 89 465.574 9 ↓

Analogs

41541736
41541736
41541740
41541740
41541495
41541495
41541498
41541498
41541507
41541507

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Popular Name: (2S)-2-(3-allyloxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-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) 2.31 10.03 -62.84 1 8 0 92 464.566 9 ↓
Lo Low (pH 4.5-6) 2.31 9.27 -45.18 2 8 1 89 465.574 9 ↓

Analogs

41541517
41541517
41541743
41541743
41541746
41541746

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Popular Name: (2R)-4-hydroxy-2-(3-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 2.54 10.24 -62.16 1 8 0 92 466.582 9 ↓
Lo Low (pH 4.5-6) 2.54 9.48 -44.53 2 8 1 89 467.59 9 ↓

Analogs

41541743
41541743
41541746
41541746
41541514
41541514

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Popular Name: (2S)-4-hydroxy-2-(3-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 2.54 10.87 -64.88 1 8 0 92 466.582 9 ↓
Lo Low (pH 4.5-6) 2.54 10.11 -48.08 2 8 1 89 467.59 9 ↓

Analogs

41541523
41541523
41541749
41541749
41541752
41541752
13730914
13730914
13730917
13730917

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Popular Name: (2R)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 1.69 8.95 -69.07 1 8 0 92 438.528 7 ↓
Lo Low (pH 4.5-6) 1.69 8.2 -50.57 2 8 1 89 439.536 7 ↓

Analogs

41541749
41541749
41541752
41541752
13730914
13730914
13730917
13730917

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Popular Name: (2S)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 1.69 8.52 -63.16 1 8 0 92 438.528 7 ↓
Lo Low (pH 4.5-6) 1.69 7.76 -45.17 2 8 1 89 439.536 7 ↓

Analogs

41541530
41541530
41541533
41541533
41541536
41541536
41541755
41541755
41541758
41541758

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Popular Name: (2R)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 2.06 9.45 -63.32 1 8 0 92 452.555 8 ↓
Lo Low (pH 4.5-6) 2.06 8.67 -45.36 2 8 1 89 453.563 8 ↓

Analogs

41541533
41541533
41541536
41541536
41541755
41541755
41541758
41541758
41541527
41541527

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Popular Name: (2S)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl)- (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) 2.06 10.08 -66.22 1 8 0 92 452.555 8 ↓
Lo Low (pH 4.5-6) 2.06 9.31 -49.42 2 8 1 89 453.563 8 ↓

Analogs

41541536
41541536
41541761
41541761
41541764
41541764
41541527
41541527
41541530
41541530

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Popular Name: (2R)-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbon (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) 2.43 10.48 -67.73 1 8 0 92 466.582 8 ↓
Lo Low (pH 4.5-6) 2.43 9.73 -49.79 2 8 1 89 467.59 8 ↓

Analogs

41541761
41541761
41541764
41541764
41541527
41541527
41541530
41541530
41541533
41541533

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Popular Name: (2S)-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbon (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) 2.43 10.05 -62.76 1 8 0 92 466.582 8 ↓
Lo Low (pH 4.5-6) 2.43 9.29 -45.66 2 8 1 89 467.59 8 ↓

Analogs

41541542
41541542
41541767
41541767
41541770
41541770

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Popular Name: (2R)-4-hydroxy-2-(4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 2.57 10.25 -63.08 1 8 0 92 466.582 9 ↓
Lo Low (pH 4.5-6) 2.57 9.48 -45.24 2 8 1 89 467.59 9 ↓

Analogs

41541767
41541767
41541770
41541770
41541539
41541539

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Popular Name: (2S)-4-hydroxy-2-(4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-carbonyl) (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) 2.57 10.87 -65.95 1 8 0 92 466.582 9 ↓
Lo Low (pH 4.5-6) 2.57 10.13 -49.34 2 8 1 89 467.59 9 ↓

Analogs

41541548
41541548
41541773
41541773
41541776
41541776

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Popular Name: (2R)-2-(4-allyloxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-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) 2.33 10.46 -69.18 1 8 0 92 464.566 9 ↓
Lo Low (pH 4.5-6) 2.33 9.71 -50.73 2 8 1 89 465.574 9 ↓

Analogs

41541773
41541773
41541776
41541776
41541545
41541545

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Popular Name: (2S)-2-(4-allyloxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(1,3,5-trimethylpyrazole-4-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) 2.33 10.03 -62.87 1 8 0 92 464.566 9 ↓
Lo Low (pH 4.5-6) 2.33 9.27 -45.24 2 8 1 89 465.574 9 ↓

Parameters Provided:

ring.id = 546477
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 = 546477 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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