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

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Popular Name: 4-(4-propoxyphenyl)-1H-pyrrole-3-carboxylic 4-(4-propoxyphenyl)-1H-pyrrole-3…

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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) 3.01 7.58 -57.11 1 4 -1 65 244.27 5 ↓

Analogs

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Popular Name: 4-(3-propoxyphenyl)-1H-pyrrole-3-carboxylic 4-(3-propoxyphenyl)-1H-pyrrole-3…

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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) 2.99 7.58 -55.72 1 4 -1 65 244.27 5 ↓

Analogs

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Popular Name: N-[3-[isopropyl(methylsulfonyl)amino]propyl]-4-phenyl-1H-pyrrole-3-carboxamide N-[3-[isopropyl(methylsulfonyl)a…

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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) 2.05 5.15 -20.42 2 6 0 82 363.483 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) 2.69 7.75 -14.71 1 4 0 59 257.289 4 ↓

Analogs

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Popular Name: 2-methyl-4-phenyl-1H-pyrrole-3-carboxylic 2-methyl-4-phenyl-1H-pyrrole-3-c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 6.31 -62.64 1 3 -1 56 200.217 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) 2.81 6.52 -9.66 1 3 0 42 219.215 3 ↓

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) 3.05 9.84 -10.22 0 3 0 31 247.269 5 ↓

Analogs

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Popular Name: 4-(4-fluorophenyl)-N,N,1-trimethyl-pyrrole-2-carboxamide 4-(4-fluorophenyl)-N,N,1-trimeth…

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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 7.46 -10.04 0 3 0 25 246.285 2 ↓

Analogs

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Popular Name: 4-(4-fluorophenyl)-N,1-dimethyl-N-propyl-pyrrole-2-carboxamide 4-(4-fluorophenyl)-N,1-dimethyl-…

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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) 3.36 9.18 -10.26 0 3 0 25 274.339 4 ↓

Analogs

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Popular Name: N,1-dimethyl-N-propyl-4-(p-tolyl)pyrrole-2-carboxamide N,1-dimethyl-N-propyl-4-(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) 3.65 9.8 -9.42 0 3 0 25 270.376 4 ↓

Analogs

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Popular Name: 1-methyl-N-[(1R)-1-methylpropyl]-4-phenyl-pyrrole-2-carboxamide 1-methyl-N-[(1R)-1-methylpropyl]…

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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) 3.28 8.36 -8.36 1 3 0 34 256.349 4 ↓

Analogs

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Popular Name: 1-methyl-N-[(1S)-1-methylpropyl]-4-phenyl-pyrrole-2-carboxamide 1-methyl-N-[(1S)-1-methylpropyl]…

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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) 3.28 8.35 -8.31 1 3 0 34 256.349 4 ↓

Analogs

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Popular Name: N-[2-(diethylamino)-2-oxo-ethyl]-4-(2-methoxyphenyl)-N-methyl-1H-pyrrole-3-carboxamide N-[2-(diethylamino)-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) 1.58 8.04 -21.95 1 6 0 66 343.427 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) 1.55 5.2 -21.35 2 6 0 80 302.33 7 ↓

Analogs

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Popular Name: N-[2-(diethylamino)-2-oxo-ethyl]-4-(3-methoxyphenyl)-N-methyl-1H-pyrrole-3-carboxamide N-[2-(diethylamino)-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) 1.61 7.98 -22.44 1 6 0 66 343.427 7 ↓

Analogs

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Popular Name: methyl 3-isothiocyanato-1-(2-methoxy-2-oxoethyl)-4-phenyl-1H-pyrrole-2-carboxylate methyl 3-isothiocyanato-1-(2-met…

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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 10.38 -18.02 0 6 0 70 330.365 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) 3.10 8.66 -10.94 0 4 0 40 259.305 5 ↓

Analogs

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Popular Name: N-(4-methoxybutyl)-4-phenyl-1H-pyrrole-3-carboxamide N-(4-methoxybutyl)-4-phenyl-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) 2.22 5.74 -15.79 2 4 0 54 272.348 7 ↓

Analogs

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Popular Name: N-(2-ethoxyethyl)-4-phenyl-1H-pyrrole-3-carboxamide N-(2-ethoxyethyl)-4-phenyl-1H-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 5.19 -13.94 2 4 0 54 258.321 6 ↓

Analogs

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Popular Name: N-isopentyl-N-methyl-4-phenyl-1H-pyrrole-3-carboxamide N-isopentyl-N-methyl-4-phenyl-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) 3.12 8.97 -13.52 1 3 0 36 270.376 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-methyl-4-phenyl-1H-pyrrole-3-carboxamide N-(2-methoxyethyl)-N-methyl-4-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) 1.46 6.78 -15.81 1 4 0 45 258.321 5 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethyl]-4-phenyl-1H-pyrrole-3-carboxamide N-[(1S)-1-methyl-2-(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) 1.13 3.64 -14.54 3 5 0 74 271.32 4 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-(methylamino)-2-oxo-ethyl]-4-phenyl-1H-pyrrole-3-carboxamide N-[(1R)-1-methyl-2-(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) 1.13 3.64 -14.67 3 5 0 74 271.32 4 ↓

Analogs

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Popular Name: 1-methyl-3-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]urea 1-methyl-3-[(4-phenyl-1H-pyrrole…

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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 2.65 -20.14 4 6 0 86 258.281 3 ↓

Analogs

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Popular Name: N-(4-amino-4-oxo-butyl)-4-phenyl-1H-pyrrole-3-carboxamide N-(4-amino-4-oxo-butyl)-4-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) 0.97 2.73 -18.04 4 5 0 88 271.32 6 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-4-phenyl-1H-pyrrole-3-carboxamide N-(2-bromoallyl)-4-phenyl-1H-pyr…

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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) 2.81 6.3 -12.44 2 3 0 45 305.175 4 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-N-methyl-4-phenyl-1H-pyrrole-3-carboxamide N-(3-methoxypropyl)-N-methyl-4-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) 1.73 6.77 -15.53 1 4 0 45 272.348 6 ↓

Analogs

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Popular Name: 4-(4-bromo-2-fluoro-phenyl)-1H-pyrrole-3-carboxylic 4-(4-bromo-2-fluoro-phenyl)-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) 2.98 7.3 -56.37 1 3 -1 56 283.076 2 ↓

Analogs

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Popular Name: 4-(3-bromo-4-fluoro-phenyl)-1H-pyrrole-3-carboxylic 4-(3-bromo-4-fluoro-phenyl)-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) 2.98 7.22 -54.48 1 3 -1 56 283.076 2 ↓

Analogs

43388871
43388871

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Popular Name: 4-(3,4-difluorophenyl)-1H-pyrrole-3-carboxylic 4-(3,4-difluorophenyl)-1H-pyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 6.68 -56.69 1 3 -1 56 222.17 2 ↓

Analogs

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Popular Name: 4-(2-fluorophenyl)-1H-pyrrole-3-carboxylic acid 4-(2-fluorophenyl)-1H-pyrrole-3-…

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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) 2.19 6.67 -59.85 1 3 -1 56 204.18 2 ↓

Analogs

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Popular Name: 4-(2,6-dichlorophenyl)-1H-pyrrole-3-carboxylic acid 4-(2,6-dichlorophenyl)-1H-pyrrol…

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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) 2.97 7.56 -54.03 1 3 -1 56 255.08 2 ↓

Analogs

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Popular Name: 4-(2,4,6-trimethylphenyl)-1H-pyrrole-3-carboxylic 4-(2,4,6-trimethylphenyl)-1H-pyr…

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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) 3.28 8.44 -56.45 1 3 -1 56 228.271 2 ↓

Analogs

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Popular Name: 4-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylic 4-[2-(trifluoromethoxy)phenyl]-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) 3.00 6.49 -57.04 1 4 -1 65 270.186 4 ↓

Analogs

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Popular Name: 4-[4-(trifluoromethylsulfanyl)phenyl]-1H-pyrrole-3-carboxylic 4-[4-(trifluoromethylsulfanyl)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) 6.06 8.05 -55.29 1 3 -1 56 286.254 4 ↓

Analogs

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Popular Name: 4-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylic 4-[4-(trifluoromethoxy)phenyl]-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) 3.05 6.35 -54.4 1 4 -1 65 270.186 4 ↓

Analogs

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Popular Name: 4-(o-tolyl)-1H-pyrrole-3-carboxylic 4-(o-tolyl)-1H-pyrrole-3-carboxylic

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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 7.02 -54.18 1 3 -1 56 200.217 2 ↓

Analogs

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Popular Name: 4-(3-bromophenyl)-1H-pyrrole-3-carboxylic 4-(3-bromophenyl)-1H-pyrrole-3-c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 7.17 -56.35 1 3 -1 56 265.086 2 ↓

Analogs

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Popular Name: 4-[2-(difluoromethoxy)phenyl]-1H-pyrrole-3-carboxylic 4-[2-(difluoromethoxy)phenyl]-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) 2.64 6.27 -57.81 1 4 -1 65 252.196 4 ↓

Analogs

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Popular Name: 4-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylic 4-(3,4,5-trimethoxyphenyl)-1H-py…

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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 5.7 -58.69 1 6 -1 84 276.268 5 ↓

Analogs

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Popular Name: 4-(4-bromophenyl)-1H-pyrrole-3-carboxylic 4-(4-bromophenyl)-1H-pyrrole-3-c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 7.18 -53.44 1 3 -1 56 265.086 2 ↓

Analogs

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Popular Name: 4-(2-methoxyphenyl)-1H-pyrrole-3-carboxylic acid 4-(2-methoxyphenyl)-1H-pyrrole-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 6 -58.64 1 4 -1 65 216.216 3 ↓

Analogs

43388871
43388871

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Popular Name: 4-(3-fluorophenyl)-1H-pyrrole-3-carboxylic 4-(3-fluorophenyl)-1H-pyrrole-3-…

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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) 2.22 6.63 -58.9 1 3 -1 56 204.18 2 ↓

Analogs

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Popular Name: 4-(4-ethoxyphenyl)-1H-pyrrole-3-carboxylic 4-(4-ethoxyphenyl)-1H-pyrrole-3-…

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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 6.78 -57.42 1 4 -1 65 230.243 4 ↓

Analogs

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Popular Name: 4-(2-ethoxyphenyl)-1H-pyrrole-3-carboxylic 4-(2-ethoxyphenyl)-1H-pyrrole-3-…

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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) 2.46 6.93 -59.39 1 4 -1 65 230.243 4 ↓

Analogs

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Popular Name: 4-(4-nitrophenyl)-1H-pyrrole-3-carboxylic acid 4-(4-nitrophenyl)-1H-pyrrole-3-c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 7.27 -52.86 1 6 -1 102 231.187 3 ↓

Analogs

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Popular Name: 4-(3-nitrophenyl)-1H-pyrrole-3-carboxylic 4-(3-nitrophenyl)-1H-pyrrole-3-c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 7.26 -49.63 1 6 -1 102 231.187 3 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-1H-pyrrole-3-carboxylic 4-(2-chlorophenyl)-1H-pyrrole-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 7 -55.32 1 3 -1 56 220.635 2 ↓

Analogs

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Popular Name: 4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-3-carboxylic 4-(2,3,4-trimethoxyphenyl)-1H-py…

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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) 1.91 5.94 -62.11 1 6 -1 84 276.268 5 ↓

Analogs

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Popular Name: 4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic 4-[3-(trifluoromethyl)phenyl]-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) 2.95 7.55 -51.28 1 3 -1 56 254.187 3 ↓

Parameters Provided:

ring.id = 35541
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 = 35541 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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