UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6377449
6377449

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 3.32 7.92 -15.01 2 6 0 80 409.28 7 ↓

Analogs

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Popular Name: 4-amino-N-ethyl-1-isopropyl-N-(m-tolyl)pyrrole-2-carboxamide 4-amino-N-ethyl-1-isopropyl-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) 3.25 7.7 -9.08 2 4 0 51 285.391 4 ↓

Analogs

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Popular Name: 4-amino-N-ethyl-N-(m-tolyl)-1H-pyrrole-2-carboxamide 4-amino-N-ethyl-N-(m-tolyl)-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) 2.44 5.65 -11.23 3 4 0 62 243.31 3 ↓
Mid Mid (pH 6-8) 2.00 4.64 -53.31 3 4 1 60 244.318 3 ↓

Analogs

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Popular Name: 4-amino-N,1-diethyl-N-(m-tolyl)pyrrole-2-carboxamide 4-amino-N,1-diethyl-N-(m-tolyl)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) 2.88 7.12 -8.85 2 4 0 51 271.364 4 ↓

Analogs

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Popular Name: 4-amino-N-ethyl-1-methyl-N-(m-tolyl)pyrrole-2-carboxamide 4-amino-N-ethyl-1-methyl-N-(m-to…

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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) 2.51 6.26 -9.3 2 4 0 51 257.337 3 ↓

Analogs

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Popular Name: 4-amino-N-ethyl-N-(m-tolyl)-1-propyl-pyrrole-2-carboxamide 4-amino-N-ethyl-N-(m-tolyl)-1-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) 3.39 7.97 -8.86 2 4 0 51 285.391 5 ↓

Analogs

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Popular Name: 4-bromo-N-ethyl-1-methyl-N-(m-tolyl)pyrrole-2-carboxamide 4-bromo-N-ethyl-1-methyl-N-(m-to…

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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) 3.83 9.02 -8 0 3 0 25 321.218 3 ↓

Analogs

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Popular Name: 4-bromo-N,1-diethyl-N-(m-tolyl)pyrrole-2-carboxamide 4-bromo-N,1-diethyl-N-(m-tolyl)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) 4.21 9.88 -7.58 0 3 0 25 335.245 4 ↓

Analogs

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Popular Name: 4-bromo-N-ethyl-N-(m-tolyl)-1-propyl-pyrrole-2-carboxamide 4-bromo-N-ethyl-N-(m-tolyl)-1-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) 4.71 10.74 -7.52 0 3 0 25 349.272 5 ↓

Analogs

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Popular Name: 4-bromo-N-ethyl-1-isopropyl-N-(m-tolyl)pyrrole-2-carboxamide 4-bromo-N-ethyl-1-isopropyl-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) 4.57 10.45 -7.57 0 3 0 25 349.272 4 ↓

Analogs

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Popular Name: N-[3-(ethylcarbamoyl)phenyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide N-[3-(ethylcarbamoyl)phenyl]-1-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) 0.59 1.35 -21.92 3 8 0 109 364.427 6 ↓

Analogs

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Popular Name: 1-methyl-4-(methylsulfamoyl)-N-(2-propoxyphenyl)pyrrole-2-carboxamide 1-methyl-4-(methylsulfamoyl)-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) 1.93 3.37 -17.75 2 7 0 89 351.428 7 ↓

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) 2.12 3.92 -27.01 3 7 0 100 315.329 6 ↓

Analogs

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Popular Name: N-(4-chloro-3-cyano-phenyl)-1,5-dimethyl-pyrrole-2-carboxamide N-(4-chloro-3-cyano-phenyl)-1,5-…

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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) 2.63 7.25 -8.8 1 4 0 58 273.723 2 ↓

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) 2.77 0.33 -13.98 2 5 0 71 318.398 5 ↓

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) 3.35 0.44 -13.68 2 5 0 71 332.425 6 ↓

Analogs

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Popular Name: 4-(diethylsulfamoyl)-1-methyl-N-(4-methylsulfanylphenyl)-pyrrole-2-carboxamide 4-(diethylsulfamoyl)-1-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) 2.48 6.64 -13.9 1 6 0 71 381.523 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) 4.17 9.32 -19.89 3 7 0 100 399.491 9 ↓

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) 1.54 4.55 -20.43 3 8 0 110 359.382 6 ↓

Analogs

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Popular Name: N-[4-(ethyl-isopropyl-amino)phenyl]-1-methyl-pyrrole-2-carboxamide N-[4-(ethyl-isopropyl-amino)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) 3.20 8.66 -12.34 1 4 0 37 285.391 5 ↓

Analogs

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Popular Name: 4,5-dibromo-N-[3-(butylsulfamoyl)phenyl]-1-methyl-pyrrole-2-carboxamide 4,5-dibromo-N-[3-(butylsulfamoyl…

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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) 4.20 5.76 -12.32 2 6 0 80 493.221 7 ↓

Analogs

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Popular Name: 4-acetyl-1-methyl-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-2-carboxamide 4-acetyl-1-methyl-N-[3-(2,2,2-tr…

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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 6.05 -14.15 2 6 0 80 367.327 6 ↓

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) 3.20 7.17 -16.91 3 7 0 100 371.437 6 ↓

Analogs

25884396
25884396

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Popular Name: 4-acetyl-N-[4-(propanoylamino)phenyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[4-(propanoylamino)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) 1.87 4.5 -24.75 3 6 0 91 299.33 5 ↓

Analogs

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Popular Name: 4-amino-N-(5-bromo-2-fluoro-phenyl)-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-(5-bromo-2-fluoro-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) 3.10 5.76 -6.23 3 4 0 60 340.196 3 ↓

Analogs

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Popular Name: 4-amino-N-(5-bromo-2-fluoro-phenyl)-1H-pyrrole-2-carboxamide 4-amino-N-(5-bromo-2-fluoro-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) 2.29 2.9 -8.9 4 4 0 71 298.115 2 ↓
Mid Mid (pH 6-8) 1.85 1.05 -51.79 4 4 1 69 299.123 2 ↓

Analogs

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Popular Name: 4-amino-N-(5-bromo-2-fluoro-phenyl)-1-ethyl-pyrrole-2-carboxamide 4-amino-N-(5-bromo-2-fluoro-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) 2.74 5.19 -6.34 3 4 0 60 326.169 3 ↓

Analogs

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Popular Name: 4-amino-N-(5-bromo-2-fluoro-phenyl)-1-methyl-pyrrole-2-carboxamide 4-amino-N-(5-bromo-2-fluoro-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) 2.36 4.32 -6.64 3 4 0 60 312.142 2 ↓

Analogs

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Popular Name: 4-amino-N-(5-bromo-2-fluoro-phenyl)-1-propyl-pyrrole-2-carboxamide 4-amino-N-(5-bromo-2-fluoro-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) 3.24 5.94 -6.17 3 4 0 60 340.196 4 ↓

Analogs

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Popular Name: 4-amino-N-[2-(propylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide 4-amino-N-[2-(propylcarbamoyl)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) 1.42 2.59 -12.84 5 6 0 100 286.335 5 ↓
Mid Mid (pH 6-8) 0.98 0.73 -53.88 5 6 1 98 287.343 5 ↓

Analogs

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Popular Name: 4-amino-N-(2-carbamoylphenyl)-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-(2-carbamoylphenyl)-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) 0.97 2.52 -12.33 5 6 0 103 286.335 4 ↓

Analogs

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Popular Name: 4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide 4-amino-N-(2-carbamoylphenyl)-1H…

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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 -0.62 -13.21 6 6 0 114 244.254 3 ↓
Mid Mid (pH 6-8) -0.28 -2.42 -54.7 6 6 1 112 245.262 3 ↓

Analogs

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Popular Name: 4-amino-N-(2-carbamoylphenyl)-1-ethyl-pyrrole-2-carboxamide 4-amino-N-(2-carbamoylphenyl)-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) 0.61 1.89 -12.62 5 6 0 103 272.308 4 ↓

Analogs

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Popular Name: 4-amino-N-(2-carbamoylphenyl)-1-methyl-pyrrole-2-carboxamide 4-amino-N-(2-carbamoylphenyl)-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) 0.23 1.07 -12.62 5 6 0 103 258.281 3 ↓

Analogs

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Popular Name: 4-amino-N-(2-carbamoylphenyl)-1-propyl-pyrrole-2-carboxamide 4-amino-N-(2-carbamoylphenyl)-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) 1.11 2.71 -12.64 5 6 0 103 286.335 5 ↓

Analogs

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Popular Name: 4-amino-N-[2-(methylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide 4-amino-N-[2-(methylcarbamoyl)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) 0.54 0.99 -13.62 5 6 0 100 258.281 3 ↓
Mid Mid (pH 6-8) 0.10 -0.87 -54.55 5 6 1 98 259.289 3 ↓

Analogs

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Popular Name: 4-amino-1-ethyl-N-[2-(methylcarbamoyl)phenyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[2-(methylcarb…

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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) 0.98 3.39 -12.63 4 6 0 89 286.335 4 ↓

Analogs

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Popular Name: 4-amino-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[2-(methylcar…

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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 2.73 -13.94 4 6 0 89 272.308 3 ↓

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) 1.70 3.16 -10.42 4 6 0 97 259.265 4 ↓
Mid Mid (pH 6-8) 1.26 1.41 -52.96 4 6 1 95 260.273 4 ↓

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) 2.14 5.64 -9.41 3 6 0 86 287.319 5 ↓

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) 1.77 4.81 -9.62 3 6 0 86 273.292 4 ↓

Analogs

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Popular Name: 4-amino-N-(2-cyano-3-fluoro-phenyl)-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-(2-cyano-3-fluoro-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) 2.02 5.74 -8.13 3 5 0 84 286.31 3 ↓

Analogs

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Popular Name: 4-amino-N-(2-cyano-3-fluoro-phenyl)-1H-pyrrole-2-carboxamide 4-amino-N-(2-cyano-3-fluoro-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) 1.22 2.65 -9.28 4 5 0 95 244.229 2 ↓
Mid Mid (pH 6-8) 0.78 0.79 -54.9 4 5 1 93 245.237 2 ↓

Analogs

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Popular Name: 4-amino-N-(2-cyano-3-fluoro-phenyl)-1-ethyl-pyrrole-2-carboxamide 4-amino-N-(2-cyano-3-fluoro-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) 1.66 5.18 -8.25 3 5 0 84 272.283 3 ↓

Analogs

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Popular Name: 4-amino-N-(2-cyano-3-fluoro-phenyl)-1-methyl-pyrrole-2-carboxamide 4-amino-N-(2-cyano-3-fluoro-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) 1.28 4.3 -8.58 3 5 0 84 258.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(2-cyano-3-fluoro-phenyl)-1-propyl-pyrrole-2-carboxamide 4-amino-N-(2-cyano-3-fluoro-phen…

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Activity (Go SEA)

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) 2.16 5.91 -8 3 5 0 84 286.31 4 ↓

Analogs

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Popular Name: 4-amino-N-(4-dimethylaminophenyl)-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-(4-dimethylaminophenyl…

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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) 2.30 5.62 -8.73 3 5 0 63 286.379 4 ↓
Lo Low (pH 4.5-6) -2.18 5.09 -124.26 4 5 2 63 288.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(4-dimethylaminophenyl)-1H-pyrrole-2-carboxamide 4-amino-N-(4-dimethylaminophenyl…

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Activity (Go SEA)

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) 1.50 2.57 -11.79 4 5 0 74 244.298 3 ↓
Mid Mid (pH 6-8) 1.05 0.72 -52.79 4 5 1 72 245.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(4-dimethylaminophenyl)-1-ethyl-pyrrole-2-carboxamide 4-amino-N-(4-dimethylaminophenyl…

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Activity (Go SEA)

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) 1.94 5.05 -8.74 3 5 0 63 272.352 4 ↓
Lo Low (pH 4.5-6) -2.55 4.4 -123.9 4 5 2 63 274.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(4-dimethylaminophenyl)-1-methyl-pyrrole-2-carboxamide 4-amino-N-(4-dimethylaminophenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.56 4.18 -9.15 3 5 0 63 258.325 3 ↓
Lo Low (pH 4.5-6) -2.92 3.55 -124.74 4 5 2 63 260.341 3 ↓

Parameters Provided:

ring.id = 7293
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 = 7293 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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