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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: 1-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridyl]ethanone 1-[6-(2,5-dimethylpyrrol-1-yl)-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) 2.06 8.01 -8.54 0 3 0 35 214.268 2 ↓

Analogs

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Popular Name: 1-(3-fluoro-2-pyridyl)-4-(trifluoromethyl)pyrrole-3-carboxylic 1-(3-fluoro-2-pyridyl)-4-(triflu…

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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) 2.16 8.06 -56.93 0 4 -1 58 273.165 3 ↓

Analogs

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Popular Name: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-iodopyridine 2-(2,5-dimethyl-1H-pyrrol-1-yl)-…

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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) 3.41 0.84 -5.02 0 2 0 17 298.127 1 ↓
Lo Low (pH 4.5-6) 3.41 1.01 -29.51 1 2 1 19 299.135 1 ↓

Analogs

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Popular Name: methyl N-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}carbamate methyl N-{1-[3-chloro-5-(trifluo…

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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) 3.06 2.66 -7.67 1 5 0 56 319.67 4 ↓

Analogs

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Popular Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbothioamide 1-[3-chloro-5-(trifluoromethyl)-…

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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) 3.26 0.32 -13.23 2 3 0 43 305.712 3 ↓

Analogs

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Popular Name: 4-methoxy-2-(1H-pyrrol-1-yl)nicotinonitrile 4-methoxy-2-(1H-pyrrol-1-yl)nico…

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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) 1.41 5.93 -10.75 0 4 0 51 199.213 2 ↓
Mid Mid (pH 6-8) 1.41 6.18 -44.62 1 4 1 52 200.221 2 ↓

Analogs

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Popular Name: 2-(2-Formyl-1-pyrrolyl)-4-methoxynicotinonitrile 2-(2-Formyl-1-pyrrolyl)-4-methox…

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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) 1.44 5.67 -12.96 0 5 0 68 227.223 3 ↓

Analogs

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Popular Name: 2-[2-(hydroxymethyl)-1H-pyrrol-1-yl]-4-methoxynicotinonitrile 2-[2-(hydroxymethyl)-1H-pyrrol-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) 0.99 3.36 -13.46 1 5 0 71 229.239 3 ↓
Mid Mid (pH 6-8) 0.99 3.64 -47.48 2 5 1 72 230.247 3 ↓

Analogs

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Popular Name: 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile 2-(2-cyano-1H-pyrrol-1-yl)-4-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) 1.40 6.27 -11.81 0 5 0 75 224.223 2 ↓

Analogs

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Popular Name: 5-nitro-2-(1H-pyrrol-1-yl)pyridine 5-nitro-2-(1H-pyrrol-1-yl)pyridine

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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) 1.85 7.23 -7.19 0 5 0 64 189.174 2 ↓
Lo Low (pH 4.5-6) 1.85 7.5 -38.45 1 5 1 65 190.182 2 ↓

Analogs

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Popular Name: [2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]methanamine [2,5-dimethyl-1-(2-pyridyl)pyrro…

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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) 1.27 5.65 -44.89 3 3 1 45 202.281 2 ↓
Hi High (pH 8-9.5) 1.27 5.23 -7.46 2 3 0 44 201.273 2 ↓

Analogs

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Popular Name: [2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]methanamine [2,5-dimethyl-1-(4-methyl-2-pyri…

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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) 1.67 6.09 -46.32 3 3 1 45 216.308 2 ↓
Hi High (pH 8-9.5) 1.67 5.68 -7.78 2 3 0 44 215.3 2 ↓

Analogs

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Popular Name: [2,5-dimethyl-1-(3-methyl-2-pyridyl)pyrrol-3-yl]methanamine [2,5-dimethyl-1-(3-methyl-2-pyri…

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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) 1.67 6.12 -45.4 3 3 1 45 216.308 2 ↓
Hi High (pH 8-9.5) 1.67 5.72 -7.89 2 3 0 44 215.3 2 ↓

Analogs

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Popular Name: [2,5-dimethyl-1-(6-methyl-2-pyridyl)pyrrol-3-yl]methanamine [2,5-dimethyl-1-(6-methyl-2-pyri…

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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) 1.33 6.03 -46.68 3 3 1 45 216.308 2 ↓
Hi High (pH 8-9.5) 1.33 5.63 -8.13 2 3 0 44 215.3 2 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-(3-methyl-2-pyridyl)pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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) 2.98 9.68 -8.92 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-(3-methyl-2-pyridyl)pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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) 2.98 9.94 -10.73 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-(3-methyl-2-pyridyl)pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 9.28 -11.04 0 3 0 35 262.74 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-(6-methyl-2-pyridyl)pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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) 2.63 9.6 -8.53 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-(6-methyl-2-pyridyl)pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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) 2.63 9.86 -10.03 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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) 2.58 9.18 -8.36 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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) 2.58 9.44 -9.9 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-(5-methyl-2-pyridyl)pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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) 3.03 9.62 -8.04 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-(5-methyl-2-pyridyl)pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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) 3.03 9.88 -9.59 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-(5-methyl-2-pyridyl)pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-(5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 9.22 -10 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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) 2.98 9.66 -8.13 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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) 2.98 9.92 -9.73 0 3 0 35 276.767 3 ↓

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-(4-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 9.26 -10.11 0 3 0 35 262.74 3 ↓

Analogs

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Popular Name: (2R)-1-[1-(5-bromo-2-pyridyl)-2,5-dimethyl-pyrrol-3-yl]-2-chloro-propan-1-one (2R)-1-[1-(5-bromo-2-pyridyl)-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) 3.56 9.77 -6.11 0 3 0 35 341.636 3 ↓

Analogs

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Popular Name: (2S)-1-[1-(5-bromo-2-pyridyl)-2,5-dimethyl-pyrrol-3-yl]-2-chloro-propan-1-one (2S)-1-[1-(5-bromo-2-pyridyl)-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) 3.56 10.03 -7.93 0 3 0 35 341.636 3 ↓

Analogs

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Popular Name: 1-[1-(5-bromo-2-pyridyl)-2,5-dimethyl-pyrrol-3-yl]-2-chloro-ethanone 1-[1-(5-bromo-2-pyridyl)-2,5-dim…

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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 9.37 -8.5 0 3 0 35 327.609 3 ↓

Analogs

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Popular Name: 2-chloro-1-[1-(5-chloro-2-pyridyl)-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-(5-chloro-2-pyridy…

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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) 3.07 9.27 -8.61 0 3 0 35 283.158 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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