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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

20900179
20900179
20900185
20900185
20900187
20900187

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Popular Name: (1S)-N-(2,3-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(2,3-dimethylphenyl)-6-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 11.19 -10.02 1 4 0 37 325.456 3 ↓

Analogs

20900185
20900185
20900187
20900187
20900177
20900177

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Popular Name: (1R)-N-(2,3-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(2,3-dimethylphenyl)-6-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 11.2 -13.67 1 4 0 37 325.456 3 ↓

Analogs

20900183
20900183

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 11.82 -9.65 1 6 0 64 369.465 6 ↓

Analogs

20900181
20900181

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 11.76 -10.73 1 6 0 64 369.465 6 ↓

Analogs

20900187
20900187
20900177
20900177
20900179
20900179

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(2,5-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(2,5-dimethylphenyl)-6-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 11.42 -9.91 1 4 0 37 325.456 3 ↓

Analogs

20900177
20900177
20900179
20900179
20900185
20900185

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(2,5-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(2,5-dimethylphenyl)-6-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 11.37 -13.44 1 4 0 37 325.456 3 ↓

Analogs

20900191
20900191
20900432
20900432
20900434
20900434

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3,5-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(3,5-dimethylphenyl)-6-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 11.2 -9.63 1 4 0 37 325.456 3 ↓

Analogs

20900432
20900432
20900434
20900434
20900189
20900189

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3,5-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(3,5-dimethylphenyl)-6-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 11.25 -13.55 1 4 0 37 325.456 3 ↓

Analogs

20900195
20900195

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Popular Name: (1S)-N-(3,4-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(3,4-dimethylphenyl)-6-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 11.13 -9.75 1 4 0 37 325.456 3 ↓

Analogs

20900193
20900193

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3,4-dimethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(3,4-dimethylphenyl)-6-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 11.1 -13.66 1 4 0 37 325.456 3 ↓

Analogs

20900199
20900199

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(5-chloro-2-methoxy-phenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxa (1S)-N-(5-chloro-2-methoxy-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.68 9.84 -9.61 1 5 0 47 361.873 4 ↓

Analogs

20900197
20900197

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Popular Name: (1R)-N-(5-chloro-2-methoxy-phenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxa (1R)-N-(5-chloro-2-methoxy-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.68 9.88 -12.95 1 5 0 47 361.873 4 ↓

Analogs

20900203
20900203

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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) 4.32 10.9 -9.93 1 6 0 64 355.438 5 ↓

Analogs

20900201
20900201

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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) 4.32 10.84 -11.02 1 6 0 64 355.438 5 ↓

Analogs

20900207
20900207

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3-methoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(3-methoxyphenyl)-6-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.05 9.24 -9.75 1 5 0 47 327.428 4 ↓

Analogs

20900205
20900205

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Popular Name: (1R)-N-(3-methoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(3-methoxyphenyl)-6-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.05 9.16 -13.39 1 5 0 47 327.428 4 ↓

Analogs

20900211
20900211

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Popular Name: (1S)-N-(4-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(4-chlorophenyl)-6-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) 4.69 10.48 -9.3 1 4 0 37 331.847 3 ↓

Analogs

20900209
20900209

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(4-chlorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(4-chlorophenyl)-6-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) 4.69 10.44 -12.74 1 4 0 37 331.847 3 ↓

Analogs

20900215
20900215

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3-chloro-4-methyl-phenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxam (1S)-N-(3-chloro-4-methyl-phenyl…

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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) 5.07 11.01 -8.52 1 4 0 37 345.874 3 ↓

Analogs

20900213
20900213

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3-chloro-4-methyl-phenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxam (1R)-N-(3-chloro-4-methyl-phenyl…

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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) 5.07 10.93 -11.92 1 4 0 37 345.874 3 ↓

Analogs

20900219
20900219

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(2-chloro-4-methyl-phenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxam (1S)-N-(2-chloro-4-methyl-phenyl…

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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) 5.07 11.17 -9.86 1 4 0 37 345.874 3 ↓

Analogs

20900217
20900217

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(2-chloro-4-methyl-phenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxam (1R)-N-(2-chloro-4-methyl-phenyl…

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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) 5.07 11.16 -9.64 1 4 0 37 345.874 3 ↓

Analogs

20900231
20900231

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 10.67 -15.71 1 6 0 64 355.438 5 ↓

Analogs

20900229
20900229

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 10.69 -15.89 1 6 0 64 355.438 5 ↓

Analogs

20900235
20900235

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(5-chloro-2,4-dimethoxy-phenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carb (1S)-N-(5-chloro-2,4-dimethoxy-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.10 8.45 -11.58 1 6 0 56 377.872 4 ↓

Analogs

20900233
20900233

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Popular Name: (1R)-N-(5-chloro-2,4-dimethoxy-phenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carb (1R)-N-(5-chloro-2,4-dimethoxy-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.10 8.48 -11.6 1 6 0 56 377.872 4 ↓

Analogs

20900239
20900239

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Popular Name: (1S)-N-(2,4-dimethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(2,4-dimethoxyphenyl)-1-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 7.85 -12.2 1 6 0 56 343.427 4 ↓

Analogs

20900237
20900237

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(2,4-dimethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(2,4-dimethoxyphenyl)-1-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 7.86 -9.71 1 6 0 56 343.427 4 ↓

Analogs

20900243
20900243

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(3,5-dimethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(3,5-dimethoxyphenyl)-1-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 7.83 -12.67 1 6 0 56 343.427 4 ↓

Analogs

20900241
20900241

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(3,5-dimethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(3,5-dimethoxyphenyl)-1-e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 7.75 -12.53 1 6 0 56 343.427 4 ↓

Analogs

20900247
20900247

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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) 4.41 10.66 -10.86 1 6 0 64 375.856 4 ↓

Analogs

20900245
20900245

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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) 4.41 10.61 -10.91 1 6 0 64 375.856 4 ↓

Analogs

20900251
20900251
21643523
21643523
21643528
21643528
21643533
21643533
21643539
21643539

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Popular Name: (1S)-N-(4-bromo-3-methyl-phenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamid (1S)-N-(4-bromo-3-methyl-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.64 10.4 -13.23 1 4 0 37 376.298 2 ↓

Analogs

21643523
21643523
21643528
21643528
21643533
21643533
21643539
21643539
20900249
20900249

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(4-bromo-3-methyl-phenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamid (1R)-N-(4-bromo-3-methyl-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.64 10.41 -13.02 1 4 0 37 376.298 2 ↓

Analogs

20900255
20900255
21643513
21643513
21643518
21643518

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(4-ethoxyphenyl)-1-ethyl-…

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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) 3.89 9.33 -14.08 1 5 0 47 327.428 4 ↓

Analogs

21643513
21643513
21643518
21643518
20900253
20900253

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(4-ethoxyphenyl)-1-ethyl-…

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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) 3.89 9.35 -14.23 1 5 0 47 327.428 4 ↓

Analogs

20900259
20900259

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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) 3.63 9.74 -15.91 1 6 0 64 341.411 4 ↓

Analogs

20900257
20900257

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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) 3.63 9.78 -16.09 1 6 0 64 341.411 4 ↓

Analogs

20900263
20900263

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Popular Name: (1S)-N-(2-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(2-ethoxyphenyl)-1-ethyl-…

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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) 3.84 9.46 -11.34 1 5 0 47 327.428 4 ↓

Analogs

20900261
20900261

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Popular Name: (1R)-N-(2-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(2-ethoxyphenyl)-1-ethyl-…

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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) 3.84 9.47 -8.95 1 5 0 47 327.428 4 ↓

Analogs

20900267
20900267
2908285
2908285
2908287
2908287

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Popular Name: (1S)-1-ethyl-6-methyl-N-(p-tolyl)-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-1-ethyl-6-methyl-N-(p-tolyl…

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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) 3.90 9.76 -13.48 1 4 0 37 297.402 2 ↓

Analogs

20900265
20900265
2908285
2908285

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Popular Name: (1R)-1-ethyl-6-methyl-N-(p-tolyl)-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-1-ethyl-6-methyl-N-(p-tolyl…

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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) 3.90 9.78 -13.7 1 4 0 37 297.402 2 ↓

Analogs

20900271
20900271

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Popular Name: (1S)-1-ethyl-N-(2-methoxy-5-methyl-phenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxam (1S)-1-ethyl-N-(2-methoxy-5-meth…

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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) 3.89 9.17 -12.57 1 5 0 47 327.428 3 ↓

Analogs

20900269
20900269

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Popular Name: (1R)-1-ethyl-N-(2-methoxy-5-methyl-phenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxam (1R)-1-ethyl-N-(2-methoxy-5-meth…

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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) 3.89 9.21 -9.43 1 5 0 47 327.428 3 ↓

Analogs

20900275
20900275

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Popular Name: (1S)-1-ethyl-N-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-1-ethyl-N-(2-fluorophenyl)-…

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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) 3.57 9.33 -8.08 1 4 0 37 301.365 2 ↓

Analogs

20900273
20900273

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Popular Name: (1R)-1-ethyl-N-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-1-ethyl-N-(2-fluorophenyl)-…

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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) 3.57 9.21 -8.16 1 4 0 37 301.365 2 ↓

Analogs

20900279
20900279

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Popular Name: (1S)-N-(2-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-N-(2-bromophenyl)-1-ethyl-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 9.96 -7.46 1 4 0 37 362.271 2 ↓

Analogs

20900277
20900277

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Popular Name: (1R)-N-(2-bromophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-N-(2-bromophenyl)-1-ethyl-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 9.86 -7.49 1 4 0 37 362.271 2 ↓

Analogs

20900287
20900287

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Popular Name: (1S)-1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1S)-1-ethyl-N-(2-ethylphenyl)-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.32 10.72 -12.63 1 4 0 37 311.429 3 ↓

Analogs

20900285
20900285

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Popular Name: (1R)-1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]pyrazine-2-carboxamide (1R)-1-ethyl-N-(2-ethylphenyl)-6…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.32 10.83 -8.98 1 4 0 37 311.429 3 ↓

Parameters Provided:

ring.id = 82235
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 = 82235 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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