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Analogs

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Popular Name: 1-methyl-N-(2-methyl-2-phenyl-propyl)-4-(methylsulfamoyl)pyrrole-2-carboxamide 1-methyl-N-(2-methyl-2-phenyl-pr…

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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) 2.13 4.12 -16.58 2 6 0 80 349.456 6 ↓

Analogs

40313552
40313552
40313554
40313554

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Popular Name: 4-amino-N-(2-methyl-2-phenyl-propyl)-1H-pyrrole-2-carboxamide 4-amino-N-(2-methyl-2-phenyl-pro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 4.11 -10.95 4 4 0 71 257.337 4 ↓
Mid Mid (pH 6-8) 2.03 2.26 -51.73 4 4 1 69 258.345 4 ↓

Analogs

40313556
40313556
40313558
40313558

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Popular Name: 4-amino-1-methyl-N-(2-methyl-2-phenyl-propyl)pyrrole-2-carboxamide 4-amino-1-methyl-N-(2-methyl-2-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) 2.54 5.74 -8.42 3 4 0 60 271.364 4 ↓

Analogs

40313560
40313560
40313561
40313561

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Popular Name: 4-amino-1-ethyl-N-(2-methyl-2-phenyl-propyl)pyrrole-2-carboxamide 4-amino-1-ethyl-N-(2-methyl-2-ph…

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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 6.63 -8.14 3 4 0 60 285.391 5 ↓

Analogs

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Popular Name: N-[2-(4-isopropylphenyl)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide N-[2-(4-isopropylphenyl)ethyl]-1…

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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) 2.66 4.86 -14.86 2 6 0 80 363.483 7 ↓

Analogs

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Popular Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide N-[2-[4-(difluoromethoxy)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) 1.77 2.51 -18.24 2 7 0 89 387.408 8 ↓

Analogs

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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) 1.42 4.75 -19.88 3 9 0 137 361.354 7 ↓

Analogs

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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) 1.42 4.67 -20.03 3 9 0 137 361.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[(2R)-2-hydroxy-2-phen…

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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) 1.32 3.05 -8.69 4 5 0 80 287.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[(2S)-2-hydroxy-2-phen…

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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) 1.32 2.97 -8.79 4 5 0 80 287.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(2S)-2-hydroxy-2-phen…

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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) 0.51 -0.11 -11.14 5 5 0 91 245.282 4 ↓
Mid Mid (pH 6-8) 0.07 -1.96 -52.59 5 5 1 89 246.29 4 ↓

Analogs

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Popular Name: 4-amino-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(2R)-2-hydroxy-2-phen…

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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) 0.51 -0.03 -11.06 5 5 0 91 245.282 4 ↓
Mid Mid (pH 6-8) 0.07 -1.87 -52.55 5 5 1 89 246.29 4 ↓

Analogs

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Popular Name: 4-amino-1-ethyl-N-[(2R)-2-hydroxy-2-phenyl-ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(2R)-2-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) 0.95 2.48 -8.72 4 5 0 80 273.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(2S)-2-hydroxy-2-phenyl-ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(2S)-2-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) 0.95 2.4 -8.84 4 5 0 80 273.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-[(2R)-2-hydroxy-2-phen…

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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) 0.58 1.6 -9.05 4 5 0 80 259.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-[(2S)-2-hydroxy-2-phen…

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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) 0.58 1.52 -9.18 4 5 0 80 259.309 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2R)-2-hydroxy-2-phenyl-ethyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(2R)-2-hydroxy-2-phen…

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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) 1.46 3.23 -8.63 4 5 0 80 287.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(2S)-2-hydroxy-2-phen…

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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) 1.46 3.14 -8.73 4 5 0 80 287.363 6 ↓

Analogs

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Popular Name: 4-amino-N-[2-(3-fluorophenyl)ethyl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[2-(3-fluorophenyl)eth…

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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) 2.45 6.21 -9.92 3 4 0 60 289.354 5 ↓

Analogs

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Popular Name: 4-amino-N-[2-(3-fluorophenyl)ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[2-(3-fluorophenyl)eth…

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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 3.13 -12.84 4 4 0 71 247.273 4 ↓

Analogs

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Popular Name: 4-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[2-(3-fluoroph…

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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 5.63 -9.9 3 4 0 60 275.327 5 ↓

Analogs

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Popular Name: 4-amino-N-[2-(3-fluorophenyl)ethyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-[2-(3-fluorophenyl)eth…

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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) 1.71 4.76 -10.29 3 4 0 60 261.3 4 ↓

Analogs

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Popular Name: 4-amino-N-[2-(3-fluorophenyl)ethyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[2-(3-fluorophenyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 6.38 -9.75 3 4 0 60 289.354 6 ↓

Analogs

8274890
8274890

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Popular Name: N-[2-(3-fluorophenyl)ethyl]-1H-pyrrole-2-carboxamide N-[2-(3-fluorophenyl)ethyl]-1H-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) 2.23 5.26 -12.94 2 3 0 45 232.258 4 ↓

Analogs

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Popular Name: 4-acetyl-N-[2-(3,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide 4-acetyl-N-[2-(3,5-difluoropheny…

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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) 2.77 7.11 -15.76 2 4 0 62 320.339 5 ↓

Analogs

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Popular Name: N-[2-(4-bromophenyl)-2-methyl-propyl]-1H-pyrrole-2-carboxamide N-[2-(4-bromophenyl)-2-methyl-pr…

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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) 3.87 6.87 -11.21 2 3 0 45 321.218 4 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-chloro-1-isopropyl-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) 0.81 6.39 -53.03 4 4 1 62 306.817 5 ↓
Mid Mid (pH 6-8) 0.81 6.04 -7.56 3 4 0 60 305.809 5 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4-chloro-1-isopropyl-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) 0.81 6.39 -52.53 4 4 1 62 306.817 5 ↓
Mid Mid (pH 6-8) 0.81 5.95 -6.73 3 4 0 60 305.809 5 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-1-ethyl-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) -0.16 5.31 -52.94 4 4 1 62 258.345 5 ↓
Mid Mid (pH 6-8) -0.16 4.96 -8.8 3 4 0 60 257.337 5 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-1-ethyl-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) -0.16 5.31 -52.17 4 4 1 62 258.345 5 ↓
Mid Mid (pH 6-8) -0.16 4.87 -8.05 3 4 0 60 257.337 5 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-chloro-1-propyl-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) 0.95 6.6 -52.85 4 4 1 62 306.817 6 ↓
Mid Mid (pH 6-8) 0.95 6.16 -6.78 3 4 0 60 305.809 6 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4-chloro-1-propyl-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) 0.95 6.6 -52.27 4 4 1 62 306.817 6 ↓
Mid Mid (pH 6-8) 0.95 6.24 -7.56 3 4 0 60 305.809 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-chloro-1-ethyl-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) 0.45 5.84 -52.95 4 4 1 62 292.79 5 ↓
Mid Mid (pH 6-8) 0.45 5.48 -7.8 3 4 0 60 291.782 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4-chloro-1-ethyl-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) 0.45 5.84 -52.42 4 4 1 62 292.79 5 ↓
Mid Mid (pH 6-8) 0.45 5.39 -6.94 3 4 0 60 291.782 5 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-bromo-1-methyl-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) 0.20 5.06 -53.47 4 4 1 62 323.214 4 ↓
Mid Mid (pH 6-8) 0.20 4.61 -7.17 3 4 0 60 322.206 4 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4-bromo-1-methyl-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) 0.20 5.06 -52.94 4 4 1 62 323.214 4 ↓
Mid Mid (pH 6-8) 0.20 4.7 -8.05 3 4 0 60 322.206 4 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4,5-dichloro-1H-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) 0.81 3.69 -58.05 5 4 1 73 299.181 4 ↓
Hi High (pH 8-9.5) 0.81 2.88 -30.87 3 4 -1 69 297.165 4 ↓
Mid Mid (pH 6-8) 0.81 3.35 -8.5 4 4 0 71 298.173 4 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4,5-dichloro-1H-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) 0.81 3.69 -58.05 5 4 1 73 299.181 4 ↓
Hi High (pH 8-9.5) 0.81 2.78 -32.39 3 4 -1 69 297.165 4 ↓
Mid Mid (pH 6-8) 0.81 3.25 -7.2 4 4 0 71 298.173 4 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-1-methyl-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) -0.53 4.43 -53.6 4 4 1 62 244.318 4 ↓
Mid Mid (pH 6-8) -0.53 4.08 -9.14 3 4 0 60 243.31 4 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-1-methyl-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) -0.53 4.43 -52.97 4 4 1 62 244.318 4 ↓
Mid Mid (pH 6-8) -0.53 3.99 -8.37 3 4 0 60 243.31 4 ↓

Analogs

8274943
8274943
8332704
8332704

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4-nitro-1H-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) -0.71 3.06 -53.35 4 7 0 117 274.28 5 ↓
Hi High (pH 8-9.5) -0.71 2.62 -32.75 3 7 -1 115 273.272 5 ↓
Mid Mid (pH 6-8) -0.71 3.55 -70.61 5 7 1 118 275.288 5 ↓

Analogs

8274943
8274943
8332704
8332704

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-nitro-1H-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) -0.71 3.06 -53.37 4 7 0 117 274.28 5 ↓
Hi High (pH 8-9.5) -0.71 2.7 -31.59 3 7 -1 115 273.272 5 ↓
Mid Mid (pH 6-8) -0.71 3.55 -70.65 5 7 1 118 275.288 5 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-1-methyl-4-nitro-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) -0.65 5.2 -58.79 4 7 1 107 289.315 5 ↓
Mid Mid (pH 6-8) -0.65 4.76 -9.95 3 7 0 106 288.307 5 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-1-methyl-4-nitro-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) -0.65 5.2 -58.36 4 7 1 107 289.315 5 ↓
Mid Mid (pH 6-8) -0.65 4.85 -10.92 3 7 0 106 288.307 5 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-1H-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) -0.60 2.78 -57.87 5 4 1 73 230.291 4 ↓
Mid Mid (pH 6-8) -0.60 2.44 -11.53 4 4 0 71 229.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-1H-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) -0.60 2.78 -57.86 5 4 1 73 230.291 4 ↓
Mid Mid (pH 6-8) -0.60 2.35 -10.32 4 4 0 71 229.283 4 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4-bromo-1H-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) 0.14 3.41 -60.31 5 4 1 73 309.187 4 ↓
Mid Mid (pH 6-8) 0.14 3.06 -11.58 4 4 0 71 308.179 4 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-bromo-1H-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) 0.14 3.41 -60.34 5 4 1 73 309.187 4 ↓
Mid Mid (pH 6-8) 0.14 2.98 -10.16 4 4 0 71 308.179 4 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4-chloro-1H-pyrrole-2-carboxamide N-[(2S)-2-amino-2-phenyl-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) 0.00 3.31 -60.44 5 4 1 73 264.736 4 ↓
Mid Mid (pH 6-8) 0.00 2.96 -11.64 4 4 0 71 263.728 4 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-chloro-1H-pyrrole-2-carboxamide N-[(2R)-2-amino-2-phenyl-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) 0.00 3.31 -60.45 5 4 1 73 264.736 4 ↓
Mid Mid (pH 6-8) 0.00 2.87 -10.18 4 4 0 71 263.728 4 ↓

Parameters Provided:

ring.id = 12437
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 = 12437 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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