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Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-(3-methoxypropyl)-N-methyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(3-metho…

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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) 0.63 3.97 -10.77 2 5 0 61 251.33 6 ↓

Analogs

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Popular Name: 1-cyclopropyl-4-[[3-(methylamino)-3-oxo-propyl]sulfamoyl]pyrrole-2-carboxylic 1-cyclopropyl-4-[[3-(methylamino…

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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 1.15 -65.41 2 8 -1 120 314.343 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-4-[3-methoxypropyl(methyl)sulfamoyl]pyrrole-2-carboxylic 1-cyclopropyl-4-[3-methoxypropyl…

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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) 0.59 4.59 -55.42 0 7 -1 92 315.371 8 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(2-hydro…

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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) 0.67 1.94 -8.86 3 5 0 71 291.273 6 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-ethyl-N-[2-(isopropylamino)-2-oxo-ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-ethyl-N-…

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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) 1.03 4.54 -15.46 3 6 0 80 292.383 6 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-methyl-N…

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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) 0.86 3.65 -15.81 3 6 0 80 278.356 6 ↓

Analogs

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Popular Name: 4-bromo-1-cyclopropyl-N-(3-methoxypropyl)-N-methyl-pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-(3-metho…

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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) 1.96 6.73 -9.26 0 4 0 34 315.211 6 ↓

Analogs

42270744
42270744

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Popular Name: 4-amino-1-cyclopropyl-N-[2-(isopropylamino)-2-oxo-ethyl]-N-methyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[2-(isop…

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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) 0.66 3.7 -15.74 3 6 0 80 278.356 5 ↓

Analogs

42270744
42270744

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Popular Name: 4-amino-N-[2-(tert-butylamino)-2-oxo-ethyl]-1-cyclopropyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-[2-(tert-butylamino)-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) 1.17 4.19 -14.86 3 6 0 80 292.383 5 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-[3-[[(1R)-1-methylpropyl]amino]-3-oxo-propyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[3-[[(1R…

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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) 0.72 3.28 -16.38 4 6 0 89 292.383 7 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-[3-[[(1S)-1-methylpropyl]amino]-3-oxo-propyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[3-[[(1S…

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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) 0.72 3.28 -16.38 4 6 0 89 292.383 7 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-(3-methylsulfonylpropyl)pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(3-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) -0.20 0.71 -17.81 3 6 0 94 285.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-(3-hydroxypropyl)-N-isopropyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(3-hydro…

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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) 0.69 2.53 -11.82 3 5 0 71 265.357 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[2-(methylamino)-2-oxo-ethyl]-N-propyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[2-(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) 0.86 3.65 -15.04 3 6 0 80 278.356 6 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-[2-(dimethylamino)-2-oxo-ethyl]-N-propyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[2-(dime…

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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 5.6 -15.22 2 6 0 72 292.383 6 ↓

Analogs

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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) 1.29 6.44 -13.38 2 6 0 78 293.367 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(2S)-2-(dimethylamino)propyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(2S)-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) 0.49 4.42 -43.94 4 5 1 64 251.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(2R)-2-(dimethylamino)propyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(2R)-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) 0.49 4.28 -40.99 4 5 1 64 251.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[2-(2-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) -0.61 -0.71 -11.7 4 6 0 90 253.302 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-N-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxamide 1-cyclopropyl-N-[2-(2-hydroxyeth…

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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) -0.02 1.45 -11.77 2 5 0 63 238.287 7 ↓

Analogs

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Popular Name: 4-chloro-1-cyclopropyl-N-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxamide 4-chloro-1-cyclopropyl-N-[2-(2-h…

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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 1.96 -10.39 2 5 0 63 272.732 7 ↓

Analogs

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Popular Name: 1-cyclopropyl-N-[2-(2-hydroxyethoxy)ethyl]-4-nitro-pyrrole-2-carboxamide 1-cyclopropyl-N-[2-(2-hydroxyeth…

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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 2.2 -12.22 2 8 0 109 283.284 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrrole-2-carboxylic 1-cyclopropyl-4-[2-(2-hydroxyeth…

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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 -0.19 -59.3 2 8 -1 121 317.343 9 ↓

Analogs

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Popular Name: 1-(1-cyclopropylpyrrol-2-yl)-N-methyl-methanamine 1-(1-cyclopropylpyrrol-2-yl)-N-m…

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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) 1.08 5.32 -38.1 2 2 1 22 151.233 3 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-1-(hydroxymethyl)propyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) 0.36 0.88 -7.89 4 5 0 80 237.303 5 ↓

Analogs

44683498
44683498
44683499
44683499

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Popular Name: 4-amino-1-cyclopropyl-N-(2-hydroxy-1,1-dimethyl-ethyl)pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(2-hydro…

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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) 0.31 0.47 -9.03 4 5 0 80 237.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(2S)-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) -0.14 -0.17 -9.43 4 5 0 80 223.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(2R)-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) -0.14 -0.12 -9.44 4 5 0 80 223.276 4 ↓

Analogs

42894449
42894449
44683498
44683498
44683499
44683499

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1S)-2-hydroxy-1-methyl-ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1S)-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) -0.17 -0.01 -8.89 4 5 0 80 223.276 4 ↓

Analogs

42894449
42894449
44683498
44683498
44683499
44683499

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-2-hydroxy-1-methyl-ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) -0.17 0.03 -8.83 4 5 0 80 223.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-1-cyclopropyl-pyrrole-2-carboxamide 4-amino-N-[(1S)-2-amino-1-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) -0.25 -0.62 -10.65 5 6 0 103 236.275 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-2-amino-1-methyl-2-oxo-ethyl]-1-cyclopropyl-pyrrole-2-carboxamide 4-amino-N-[(1R)-2-amino-1-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) -0.25 -0.6 -10.74 5 6 0 103 236.275 4 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-[2-(methanesulfonamido)ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[2-(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) -0.71 -1.48 -17.98 4 7 0 106 286.357 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(2-sulfa…

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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) -1.08 -2.66 -20.29 5 7 0 120 272.33 5 ↓

Analogs

43411050
43411050
45661810
45661810
45661813
45661813

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Popular Name: N-(2-acetamidoethyl)-4-amino-1-cyclopropyl-pyrrole-2-carboxamide N-(2-acetamidoethyl)-4-amino-1-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) -0.72 0.73 -12.78 4 6 0 89 250.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(3-amino-3-oxo-propyl)-1-cyclopropyl-pyrrole-2-carboxamide 4-amino-N-(3-amino-3-oxo-propyl)…

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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) -0.87 -0.84 -16.96 5 6 0 103 236.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[2-(ethylamino)-2-oxo-ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[2-(ethy…

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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) 0.11 0.87 -9.92 4 6 0 89 250.302 5 ↓

Analogs

43411050
43411050

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[2-oxo-2-(propylamino)ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[2-oxo-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) 0.62 1.64 -9.77 4 6 0 89 264.329 6 ↓

Analogs

43411050
43411050

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[2-(isopropylamino)-2-oxo-ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[2-(isop…

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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) 0.41 1.68 -9.87 4 6 0 89 264.329 5 ↓

Analogs

42271071
42271071
42271074
42271074

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-1,2-dimethylpropyl]-N-methyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) 1.83 6.22 -8.79 2 4 0 51 249.358 4 ↓

Analogs

42271071
42271071
42271074
42271074

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Popular Name: 4-amino-1-cyclopropyl-N-[(1S)-1,2-dimethylpropyl]-N-methyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1S)-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) 1.83 6.36 -8.66 2 4 0 51 249.358 4 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-(1-ethylpropyl)-N-methyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(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) 2.12 6.82 -8.61 2 4 0 51 249.358 5 ↓

Analogs

42271280
42271280
42271283
42271283

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Popular Name: 4-amino-1-cyclopropyl-N-methyl-N-[(1R)-1-methylbutyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-methyl-N…

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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) 2.14 6.51 -8.76 2 4 0 51 249.358 5 ↓

Analogs

42271280
42271280
42271283
42271283

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Popular Name: 4-amino-1-cyclopropyl-N-methyl-N-[(1S)-1-methylbutyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-methyl-N…

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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) 2.14 6.51 -8.67 2 4 0 51 249.358 5 ↓

Analogs

42270744
42270744
45662053
45662053

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Popular Name: 4-amino-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxo-ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-ethyl-N-…

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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) 0.36 2.88 -15.88 3 6 0 80 264.329 5 ↓

Analogs

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Popular Name: 4-amino-N-(2-amino-2-oxo-ethyl)-1-cyclopropyl-N-isopropyl-pyrrole-2-carboxamide 4-amino-N-(2-amino-2-oxo-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) -0.22 1.51 -15.62 4 6 0 94 264.329 5 ↓

Analogs

42559930
42559930
42559933
42559933

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Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) -0.06 1.74 -10.08 4 6 0 89 264.329 5 ↓

Analogs

42559930
42559930
42559933
42559933

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1S)-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) -0.06 1.71 -9.99 4 6 0 89 264.329 5 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-1,4-dimethylpentyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) 2.38 6.23 -7.64 3 4 0 60 263.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1S)-1,4-dimethylpentyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1S)-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) 2.38 6.18 -7.51 3 4 0 60 263.385 6 ↓

Parameters Provided:

ring.id = 13386
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 = 13386 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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