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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: 2-methyl-1-[2-(2,3,4-trimethylpyrrol-1-yl)ethyl]imidazole 2-methyl-1-[2-(2,3,4-trimethylpy…

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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 9.6 -33.72 1 3 1 24 218.324 3 ↓
Mid Mid (pH 6-8) 1.66 9.12 -8 0 3 0 23 217.316 3 ↓

Analogs

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Popular Name: 1-[2-(2,3,4-trimethylpyrrol-1-yl)ethyl]imidazole 1-[2-(2,3,4-trimethylpyrrol-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) 1.58 9.4 -7.75 0 3 0 23 203.289 3 ↓
Mid Mid (pH 6-8) 1.58 9.91 -37.16 1 3 1 24 204.297 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(1S)-2-imidazol-1-yl-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) 0.91 8.9 -58 0 5 -1 63 246.29 4 ↓
Mid Mid (pH 6-8) 0.91 9.42 -82.79 1 5 0 64 247.298 4 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(1R)-2-imidazol-1-yl-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) 0.91 9.23 -56.8 0 5 -1 63 246.29 4 ↓
Mid Mid (pH 6-8) 0.91 9.74 -80.96 1 5 0 64 247.298 4 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrole-3-carbaldehyde 1-[(1S)-2-imidazol-1-yl-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) 1.13 8.1 -13.63 0 4 0 40 231.299 4 ↓
Mid Mid (pH 6-8) 1.13 8.61 -47.21 1 4 1 41 232.307 4 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrole-3-carbaldehyde 1-[(1R)-2-imidazol-1-yl-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) 1.13 8.4 -14.43 0 4 0 40 231.299 4 ↓
Mid Mid (pH 6-8) 1.13 8.91 -47.58 1 4 1 41 232.307 4 ↓

Analogs

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Popular Name: 2-chloro-1-[1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-[(1S)-2-imidazol-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) 1.47 9.57 -12.22 0 4 0 40 279.771 5 ↓
Mid Mid (pH 6-8) 1.47 10.08 -44.33 1 4 1 41 280.779 5 ↓

Analogs

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Popular Name: 2-chloro-1-[1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-[(1R)-2-imidazol-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) 1.47 9.91 -11.51 0 4 0 40 279.771 5 ↓
Mid Mid (pH 6-8) 1.47 10.42 -43.51 1 4 1 41 280.779 5 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[(1S)-2-imida…

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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 9.97 -9.9 0 4 0 40 293.798 5 ↓
Mid Mid (pH 6-8) 1.83 10.48 -41.81 1 4 1 41 294.806 5 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[(1R)-2-imida…

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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 10.3 -9.46 0 4 0 40 293.798 5 ↓
Mid Mid (pH 6-8) 1.83 10.82 -41.34 1 4 1 41 294.806 5 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[(1S)-2-imida…

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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 10.23 -12.05 0 4 0 40 293.798 5 ↓
Mid Mid (pH 6-8) 1.83 10.74 -44.61 1 4 1 41 294.806 5 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[(1R)-2-imida…

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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 10.57 -11.35 0 4 0 40 293.798 5 ↓
Mid Mid (pH 6-8) 1.83 11.08 -43.74 1 4 1 41 294.806 5 ↓

Analogs

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Popular Name: 2-amino-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-[(1S)-2-imidazol-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) 0.85 8.11 -12.22 2 5 0 73 243.314 3 ↓
Mid Mid (pH 6-8) 0.85 8.62 -46.35 3 5 1 74 244.322 3 ↓

Analogs

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Popular Name: 2-amino-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-[(1R)-2-imidazol-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) 0.85 8.38 -12.27 2 5 0 73 243.314 3 ↓
Mid Mid (pH 6-8) 0.85 8.89 -46.37 3 5 1 74 244.322 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyrrole-2-carbaldehyde 1-[(1S)-2-imidazol-1-yl-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) 0.99 7.18 -12.41 0 4 0 40 203.245 4 ↓
Mid Mid (pH 6-8) 0.99 7.69 -45.92 1 4 1 41 204.253 4 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyrrole-2-carbaldehyde 1-[(1R)-2-imidazol-1-yl-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) 0.99 7.46 -12.46 0 4 0 40 203.245 4 ↓
Mid Mid (pH 6-8) 0.99 7.98 -44.84 1 4 1 41 204.253 4 ↓

Analogs

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Popular Name: 1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyrrole-2-carboxylic 1-[(1S)-2-imidazol-1-yl-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) 0.78 8.03 -52.74 0 5 -1 63 218.236 4 ↓
Mid Mid (pH 6-8) 0.78 8.54 -64.88 1 5 0 64 219.244 4 ↓

Analogs

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Popular Name: 1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyrrole-2-carboxylic 1-[(1R)-2-imidazol-1-yl-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) 0.78 8.32 -53.11 0 5 -1 63 218.236 4 ↓
Mid Mid (pH 6-8) 0.78 8.83 -57.51 1 5 0 64 219.244 4 ↓

Analogs

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Popular Name: 1-[(2S)-2-(2,5-dimethylpyrrol-1-yl)propyl]imidazole 1-[(2S)-2-(2,5-dimethylpyrrol-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) 1.41 8.49 -7.36 0 3 0 23 203.289 3 ↓
Mid Mid (pH 6-8) 1.41 9 -37.95 1 3 1 24 204.297 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-(2,5-dimethylpyrrol-1-yl)propyl]imidazole 1-[(2R)-2-(2,5-dimethylpyrrol-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) 1.41 8.73 -7.39 0 3 0 23 203.289 3 ↓
Mid Mid (pH 6-8) 1.41 9.25 -37.28 1 3 1 24 204.297 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-pyrrol-1-ylpropyl]imidazole 1-[(2S)-2-pyrrol-1-ylpropyl]imid…

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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 7.73 -7.16 0 3 0 23 175.235 3 ↓
Mid Mid (pH 6-8) 0.97 8.24 -36.87 1 3 1 24 176.243 3 ↓

Analogs

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Popular Name: 1-[(2R)-2-pyrrol-1-ylpropyl]imidazole 1-[(2R)-2-pyrrol-1-ylpropyl]imid…

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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 8.01 -7.17 0 3 0 23 175.235 3 ↓
Mid Mid (pH 6-8) 0.97 8.53 -36.55 1 3 1 24 176.243 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) 0.17 6.06 -37.82 3 6 1 76 249.294 5 ↓
Mid Mid (pH 6-8) 0.17 5.58 -11.32 2 6 0 75 248.286 5 ↓

Analogs

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Popular Name: 1-[2-(2-methylimidazol-1-yl)ethyl]-4-nitro-pyrrole-2-carboxylic 1-[2-(2-methylimidazol-1-yl)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) 0.39 8.81 -49.07 1 8 0 110 264.241 5 ↓
Mid Mid (pH 6-8) 0.39 8.33 -43.24 0 8 -1 109 263.233 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 324055 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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