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

Analogs

41544123
41544123
41544178
41544178
41544181
41544181
6812780
6812780

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-phenyl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-o (2R)-3-(2,4-dimethylthiazole-5-c…

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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 9.83 -68.92 1 6 0 78 411.527 6 ↓
Lo Low (pH 4.5-6) 1.92 9.08 -49.13 2 6 1 75 412.535 6 ↓

Analogs

41544178
41544178
41544181
41544181
41544120
41544120
6812780
6812780

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-phenyl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-o (2S)-3-(2,4-dimethylthiazole-5-c…

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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 9.37 -65.24 1 6 0 78 411.527 6 ↓
Lo Low (pH 4.5-6) 1.92 8.61 -44.8 2 6 1 75 412.535 6 ↓

Analogs

41544129
41544129
41544351
41544351
20149927
20149927

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2S)-3-(2,4-dimethylthiazole-5-c…

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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 9.89 -67.88 1 6 0 78 429.517 6 ↓
Lo Low (pH 4.5-6) 2.03 9.14 -48.98 2 6 1 75 430.525 6 ↓

Analogs

41544351
41544351
41544354
41544354
41544126
41544126
20149927
20149927

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2R)-3-(2,4-dimethylthiazole-5-c…

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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 9.26 -67.14 1 6 0 78 429.517 6 ↓
Lo Low (pH 4.5-6) 2.03 8.37 -44.06 2 6 1 75 430.525 6 ↓

Analogs

41544134
41544134
41544357
41544357
41544360
41544360
6812778
6812778

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2R)-3-(2,4-dimethylthiazole-5-c…

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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 9.91 -67.12 1 6 0 78 429.517 6 ↓
Lo Low (pH 4.5-6) 2.06 9.16 -50.79 2 6 1 75 430.525 6 ↓

Analogs

41544357
41544357
41544360
41544360
41544131
41544131
6812778
6812778

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2S)-3-(2,4-dimethylthiazole-5-c…

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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 9.42 -64.01 1 6 0 78 429.517 6 ↓
Lo Low (pH 4.5-6) 2.06 8.67 -47.11 2 6 1 75 430.525 6 ↓

Analogs

41544140
41544140
41544363
41544363
41544367
41544367
4427898
4427898

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2R)-3-(2,4-dimethylthiazole-5-c…

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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 9.9 -68.8 1 6 0 78 429.517 6 ↓
Lo Low (pH 4.5-6) 2.08 9.15 -52.26 2 6 1 75 430.525 6 ↓

Analogs

41544363
41544363
41544367
41544367
4427898
4427898

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2S)-3-(2,4-dimethylthiazole-5-c…

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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 9.43 -64.44 1 6 0 78 429.517 6 ↓
Lo Low (pH 4.5-6) 2.08 8.68 -47.41 2 6 1 75 430.525 6 ↓

Analogs

41544146
41544146
41544155
41544155
41544158
41544158
41544370
41544370
41544373
41544373

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-chlorophenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2R)-2-(3-chlorophenyl)-3-(2,4-d…

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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 10.34 -66.81 1 6 0 78 445.972 6 ↓
Lo Low (pH 4.5-6) 2.57 9.59 -50.04 2 6 1 75 446.98 6 ↓

Analogs

41544155
41544155
41544158
41544158
4312092
4312092

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chlorophenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2S)-2-(3-chlorophenyl)-3-(2,4-d…

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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 9.88 -63.63 1 6 0 78 445.972 6 ↓
Lo Low (pH 4.5-6) 2.57 9.12 -46.48 2 6 1 75 446.98 6 ↓

Analogs

41544152
41544152
41544377
41544377
20132589
20132589

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chlorophenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2R)-2-(4-chlorophenyl)-3-(2,4-d…

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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 10.35 -68.2 1 6 0 78 445.972 6 ↓
Lo Low (pH 4.5-6) 2.59 9.6 -51.47 2 6 1 75 446.98 6 ↓

Analogs

41544377
41544377
41544380
41544380
41544149
41544149
20132589
20132589

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chlorophenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2S)-2-(4-chlorophenyl)-3-(2,4-d…

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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 9.87 -63.9 1 6 0 78 445.972 6 ↓
Lo Low (pH 4.5-6) 2.59 9.11 -46.69 2 6 1 75 446.98 6 ↓

Analogs

41544158
41544158
41544383
41544383
41544386
41544386
33813248
33813248
33813249
33813249

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,4-dichlorophenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl) (2R)-2-(3,4-dichlorophenyl)-3-(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) 3.20 10.8 -66.39 1 6 0 78 480.417 6 ↓
Lo Low (pH 4.5-6) 3.20 10.05 -52.45 2 6 1 75 481.425 6 ↓

Analogs

41544383
41544383
33813142
33813142
33813248
33813248
33813249
33813249

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dichlorophenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl) (2S)-2-(3,4-dichlorophenyl)-3-(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) 3.20 10.32 -62.55 1 6 0 78 480.417 6 ↓
Lo Low (pH 4.5-6) 3.20 9.57 -48.24 2 6 1 75 481.425 6 ↓

Analogs

41544163
41544163
41544389
41544389
41544392
41544392
9008205
9008205

Draw Identity 99% 90% 80% 70%

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

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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 10.44 -67.7 1 9 0 124 456.524 7 ↓
Lo Low (pH 4.5-6) 1.85 9.69 -55.95 2 9 1 121 457.532 7 ↓

Analogs

41544389
41544389
41544392
41544392
9008205
9008205

Draw Identity 99% 90% 80% 70%

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

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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 10.07 -65.51 1 9 0 124 456.524 7 ↓
Lo Low (pH 4.5-6) 1.85 9.31 -53.65 2 9 1 121 457.532 7 ↓

Analogs

41544169
41544169
41544394
41544394
41544397
41544397
40098508
40098508
40098509
40098509

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

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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 10.35 -66.84 1 6 0 78 490.423 6 ↓
Lo Low (pH 4.5-6) 2.70 9.6 -49.85 2 6 1 75 491.431 6 ↓

Analogs

41544394
41544394
41544397
41544397
40098508
40098508
40098509
40098509
40098778
40098778

Draw Identity 99% 90% 80% 70%

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

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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 9.98 -63.47 1 6 0 78 490.423 6 ↓
Lo Low (pH 4.5-6) 2.70 9.23 -46.48 2 6 1 75 491.431 6 ↓

Analogs

41544175
41544175
41544400
41544400
41544403
41544403
40053484
40053484
40053485
40053485

Draw Identity 99% 90% 80% 70%

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

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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 10.55 -70.75 1 9 0 124 456.524 7 ↓
Lo Low (pH 4.5-6) 1.88 9.8 -59.09 2 9 1 121 457.532 7 ↓

Analogs

41544400
41544400
41544403
41544403
40098781
40098781
40098783
40098783
40098948
40098948

Draw Identity 99% 90% 80% 70%

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

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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 10.08 -65.64 1 9 0 124 456.524 7 ↓
Lo Low (pH 4.5-6) 1.88 9.33 -53.84 2 9 1 121 457.532 7 ↓

Analogs

41544181
41544181
41544184
41544184
41544187
41544187
41544190
41544190
41544193
41544193

Draw Identity 99% 90% 80% 70%

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

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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 10 -65.46 1 6 0 78 425.554 6 ↓
Lo Low (pH 4.5-6) 2.37 9.24 -44.95 2 6 1 75 426.562 6 ↓

Analogs

41544184
41544184
41544187
41544187
41544190
41544190
41544193
41544193
41544120
41544120

Draw Identity 99% 90% 80% 70%

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

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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 10.33 -69.64 1 6 0 78 425.554 6 ↓
Lo Low (pH 4.5-6) 2.37 9.58 -49.39 2 6 1 75 426.562 6 ↓

Analogs

41544187
41544187
41544190
41544190
41544193
41544193
41544178
41544178
41544181
41544181

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-1-(2-pyrrolidin-1-ylethyl)- (2R)-3-(2,4-dimethylthiazole-5-c…

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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 11.76 -68.95 1 6 0 78 453.608 7 ↓
Lo Low (pH 4.5-6) 3.43 11.01 -49.11 2 6 1 75 454.616 7 ↓

Analogs

41544190
41544190
41544193
41544193
41544178
41544178
41544181
41544181
41544184
41544184

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-1-(2-pyrrolidin-1-ylethyl)- (2S)-3-(2,4-dimethylthiazole-5-c…

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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 11.3 -65.34 1 6 0 78 453.608 7 ↓
Lo Low (pH 4.5-6) 3.43 10.54 -45.12 2 6 1 75 454.616 7 ↓

Analogs

41544193
41544193
41544178
41544178
41544181
41544181
41544184
41544184

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-tert-butylphenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl) (2R)-2-(4-tert-butylphenyl)-3-(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) 3.62 12.16 -69.07 1 6 0 78 467.635 7 ↓
Lo Low (pH 4.5-6) 3.62 11.4 -49.11 2 6 1 75 468.643 7 ↓

Analogs

41544178
41544178
41544181
41544181
41544184
41544184

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-tert-butylphenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl) (2S)-2-(4-tert-butylphenyl)-3-(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) 3.62 11.69 -65.57 1 6 0 78 467.635 7 ↓
Lo Low (pH 4.5-6) 3.62 10.94 -45.33 2 6 1 75 468.643 7 ↓

Analogs

41544199
41544199
41544424
41544424
41544427
41544427
9271385
9271385

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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 10.47 -72.26 1 8 0 104 469.563 8 ↓
Lo Low (pH 4.5-6) 2.09 9.72 -56.19 2 8 1 101 470.571 8 ↓

Analogs

41544424
41544424
41544427
41544427
41544196
41544196
9271385
9271385

Draw Identity 99% 90% 80% 70%

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 10 -67.07 1 8 0 104 469.563 8 ↓
Lo Low (pH 4.5-6) 2.09 9.25 -50.57 2 8 1 101 470.571 8 ↓

Analogs

41544223
41544223
41544448
41544448
41544451
41544451
33812819
33812819
33813246
33813246

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Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2R)-3-(2,4-dimethylthiazole-5-c…

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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 8.86 -75.9 1 7 0 87 441.553 7 ↓
Lo Low (pH 4.5-6) 1.93 7.96 -50.38 2 7 1 84 442.561 7 ↓

Analogs

41544448
41544448
41544451
41544451
33813246
33813246
40053508
40053508
40053509
40053509

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Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2S)-3-(2,4-dimethylthiazole-5-c…

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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 8.78 -73.35 1 7 0 87 441.553 7 ↓
Lo Low (pH 4.5-6) 1.93 7.89 -47.27 2 7 1 84 442.561 7 ↓

Analogs

41544229
41544229
13161748
13161748

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Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2R)-3-(2,4-dimethylthiazole-5-c…

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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 9.13 -68.58 1 7 0 87 441.553 7 ↓
Lo Low (pH 4.5-6) 1.95 8.38 -49.65 2 7 1 84 442.561 7 ↓

Analogs

41544226
41544226
35567059
35567059
35567060
35567060

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Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2S)-3-(2,4-dimethylthiazole-5-c…

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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 8.65 -65.3 1 7 0 87 441.553 7 ↓
Lo Low (pH 4.5-6) 1.95 7.9 -46.02 2 7 1 84 442.561 7 ↓

Analogs

41544235
41544235
41544238
41544238
41544241
41544241
41544244
41544244
33812808
33812808

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2R)-3-(2,4-dimethylthiazole-5-c…

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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 9.54 -64.95 1 7 0 87 455.58 8 ↓
Lo Low (pH 4.5-6) 2.33 8.8 -45.6 2 7 1 84 456.588 8 ↓

Analogs

41544238
41544238
41544241
41544241
41544244
41544244
41544247
41544247
33812808
33812808

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2S)-3-(2,4-dimethylthiazole-5-c…

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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 9.89 -68.13 1 7 0 87 455.58 8 ↓
Lo Low (pH 4.5-6) 2.33 9.12 -49.14 2 7 1 84 456.588 8 ↓

Analogs

41544241
41544241
41544465
41544465
41544468
41544468
41544232
41544232
41544235
41544235

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Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl) (2R)-3-(2,4-dimethylthiazole-5-c…

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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 10.76 -68.59 1 7 0 87 469.607 8 ↓
Lo Low (pH 4.5-6) 2.69 10.07 -49.39 2 7 1 84 470.615 8 ↓

Analogs

41544465
41544465
41544468
41544468
33812808
33812808
33812809
33812809
41544232
41544232

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(3-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl) (2S)-3-(2,4-dimethylthiazole-5-c…

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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 10.23 -64.61 1 7 0 87 469.607 8 ↓
Lo Low (pH 4.5-6) 2.69 9.46 -46.43 2 7 1 84 470.615 8 ↓

Analogs

41544247
41544247
41544471
41544471
41544474
41544474
33812808
33812808
33812809
33812809

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Popular Name: (2R)-2-(3-allyloxyphenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2 (2R)-2-(3-allyloxyphenyl)-3-(2,4…

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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 10.64 -68.21 1 7 0 87 467.591 9 ↓
Lo Low (pH 4.5-6) 2.59 9.89 -49.65 2 7 1 84 468.599 9 ↓

Analogs

41544471
41544471
41544474
41544474
33812811
33812811
33813240
33813240
33813241
33813241

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Popular Name: (2S)-2-(3-allyloxyphenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2 (2S)-2-(3-allyloxyphenyl)-3-(2,4…

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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 10.17 -65.32 1 7 0 87 467.591 9 ↓
Lo Low (pH 4.5-6) 2.59 9.42 -46.09 2 7 1 84 468.599 9 ↓

Analogs

41544253
41544253
41544477
41544477
41544480
41544480
33812812
33812812
33812813
33812813

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Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2R)-3-(2,4-dimethylthiazole-5-c…

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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 10.35 -64.67 1 7 0 87 469.607 9 ↓
Lo Low (pH 4.5-6) 2.83 9.59 -45.52 2 7 1 84 470.615 9 ↓

Analogs

41544477
41544477
41544480
41544480
33812812
33812812
33812813
33812813
33813150
33813150

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(3-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2S)-3-(2,4-dimethylthiazole-5-c…

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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 10.69 -67.88 1 7 0 87 469.607 9 ↓
Lo Low (pH 4.5-6) 2.83 9.92 -49.05 2 7 1 84 470.615 9 ↓

Analogs

41544259
41544259
13004816
13004816

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Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2R)-3-(2,4-dimethylthiazole-5-c…

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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 9.13 -70.43 1 7 0 87 441.553 7 ↓
Lo Low (pH 4.5-6) 1.97 8.38 -51.41 2 7 1 84 442.561 7 ↓

Analogs

41544256
41544256
35567015
35567015
35567016
35567016

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Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2S)-3-(2,4-dimethylthiazole-5-c…

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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 8.66 -65.78 1 7 0 87 441.553 7 ↓
Lo Low (pH 4.5-6) 1.97 7.9 -46.23 2 7 1 84 442.561 7 ↓

Analogs

41544265
41544265
41544268
41544268
41544271
41544271
41544489
41544489
20133167
20133167

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Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2R)-3-(2,4-dimethylthiazole-5-c…

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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 9.55 -66.05 1 7 0 87 455.58 8 ↓
Lo Low (pH 4.5-6) 2.35 8.8 -46.56 2 7 1 84 456.588 8 ↓

Analogs

41544268
41544268
41544271
41544271
41544489
41544489
41544492
41544492
41544262
41544262

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Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H- (2S)-3-(2,4-dimethylthiazole-5-c…

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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 9.88 -71.09 1 7 0 87 455.58 8 ↓
Lo Low (pH 4.5-6) 2.35 9.13 -51.79 2 7 1 84 456.588 8 ↓

Analogs

41544271
41544271
41544495
41544495
41544498
41544498
41544262
41544262
41544265
41544265

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Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl) (2R)-3-(2,4-dimethylthiazole-5-c…

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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 10.81 -68.98 1 7 0 87 469.607 8 ↓
Lo Low (pH 4.5-6) 2.71 10.06 -50.83 2 7 1 84 470.615 8 ↓

Analogs

41544495
41544495
41544498
41544498
41544262
41544262
41544265
41544265
41544268
41544268

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(4-isopropoxyphenyl)-1-(2-pyrrolidin-1-ylethyl) (2S)-3-(2,4-dimethylthiazole-5-c…

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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 10.22 -65.86 1 7 0 87 469.607 8 ↓
Lo Low (pH 4.5-6) 2.71 9.47 -47 2 7 1 84 470.615 8 ↓

Analogs

41544277
41544277
33812816
33812816
33812817
33812817
33813258
33813258

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2R)-3-(2,4-dimethylthiazole-5-c…

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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 10.35 -65.82 1 7 0 87 469.607 9 ↓
Lo Low (pH 4.5-6) 2.85 9.6 -46.39 2 7 1 84 470.615 9 ↓

Analogs

33812816
33812816
33812817
33812817
33813258
33813258

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2-(4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H (2S)-3-(2,4-dimethylthiazole-5-c…

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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 10.68 -70.88 1 7 0 87 469.607 9 ↓
Lo Low (pH 4.5-6) 2.85 9.92 -51.6 2 7 1 84 470.615 9 ↓

Analogs

41544283
41544283
41544507
41544507
41544510
41544510
33812814
33812814
40125018
40125018

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Popular Name: (2R)-2-(4-allyloxyphenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2 (2R)-2-(4-allyloxyphenyl)-3-(2,4…

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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 10.64 -70.51 1 7 0 87 467.591 9 ↓
Lo Low (pH 4.5-6) 2.62 9.89 -51.66 2 7 1 84 468.599 9 ↓

Analogs

41544507
41544507
41544510
41544510
33812814
33812814
8983168
8983168

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Popular Name: (2S)-2-(4-allyloxyphenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2 (2S)-2-(4-allyloxyphenyl)-3-(2,4…

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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 10.16 -65.48 1 7 0 87 467.591 9 ↓
Lo Low (pH 4.5-6) 2.62 9.41 -46.29 2 7 1 84 468.599 9 ↓

Parameters Provided:

ring.id = 546690
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 = 546690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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