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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-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole 2-[(2S)-pyrrolidin-2-yl]-5-(trif…

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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) 1.31 3.17 -40.44 3 3 1 45 206.191 2 ↓
Hi High (pH 8-9.5) 1.31 2.46 -30.32 2 3 0 44 205.183 2 ↓
Hi High (pH 8-9.5) 1.31 1.94 -3.81 2 3 0 41 205.183 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole 2-[(2R)-pyrrolidin-2-yl]-5-(trif…

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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) 1.31 3.27 -40.09 3 3 1 45 206.191 2 ↓
Hi High (pH 8-9.5) 1.31 2.63 -29.89 2 3 0 44 205.183 2 ↓
Hi High (pH 8-9.5) 1.31 1.57 -3.44 2 3 0 41 205.183 2 ↓

Analogs

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Popular Name: 4,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole 4,5-dimethyl-2-[(2S)-pyrrolidin-…

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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 3.71 -97.39 4 3 2 47 167.256 1 ↓
Hi High (pH 8-9.5) 0.62 2.39 -23.51 3 3 1 42 166.248 1 ↓
Hi High (pH 8-9.5) 0.62 2.12 -5.93 2 3 0 41 165.24 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole 4,5-dimethyl-2-[(2R)-pyrrolidin-…

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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 3.82 -97.25 4 3 2 47 167.256 1 ↓
Hi High (pH 8-9.5) 0.62 2.48 -25.29 3 3 1 42 166.248 1 ↓
Hi High (pH 8-9.5) 0.62 1.76 -5.45 2 3 0 41 165.24 1 ↓

Analogs

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Popular Name: 4-ethyl-5-propyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole 4-ethyl-5-propyl-2-[(2S)-pyrroli…

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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) 2.27 5.58 -34.7 3 3 1 45 208.329 4 ↓
Hi High (pH 8-9.5) 2.27 4.58 -23.6 3 3 1 42 208.329 4 ↓
Mid Mid (pH 6-8) 2.27 5.92 -99.76 4 3 2 47 209.337 4 ↓

Analogs

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Popular Name: 4-ethyl-5-propyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole 4-ethyl-5-propyl-2-[(2R)-pyrroli…

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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) 2.27 5.68 -34.39 3 3 1 45 208.329 4 ↓
Hi High (pH 8-9.5) 2.27 4.7 -25.19 3 3 1 42 208.329 4 ↓
Mid Mid (pH 6-8) 2.27 6.03 -99.5 4 3 2 47 209.337 4 ↓

Analogs

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Popular Name: 5-tert-butyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole 5-tert-butyl-2-[(2S)-pyrrolidin-…

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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 4.71 -34.89 3 3 1 45 194.302 2 ↓
Hi High (pH 8-9.5) 2.12 3.51 -5.01 2 3 0 41 193.294 2 ↓
Hi High (pH 8-9.5) 2.12 3.65 -23.98 3 3 1 42 194.302 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole 5-tert-butyl-2-[(2R)-pyrrolidin-…

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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 4.8 -34.59 3 3 1 45 194.302 2 ↓
Hi High (pH 8-9.5) 2.12 3.14 -4.75 2 3 0 41 193.294 2 ↓
Hi High (pH 8-9.5) 2.12 3.71 -26.64 3 3 1 42 194.302 2 ↓

Analogs

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Popular Name: 5-isopropyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole 5-isopropyl-2-[(2S)-pyrrolidin-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) 1.46 4.05 -35.07 3 3 1 45 180.275 2 ↓
Hi High (pH 8-9.5) 1.46 3.14 -24.18 3 3 1 42 180.275 2 ↓
Hi High (pH 8-9.5) 1.46 2.85 -5.43 2 3 0 41 179.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-isopropyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole 5-isopropyl-2-[(2R)-pyrrolidin-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) 1.46 4.15 -34.76 3 3 1 45 180.275 2 ↓
Hi High (pH 8-9.5) 1.46 3.2 -26.75 3 3 1 42 180.275 2 ↓
Hi High (pH 8-9.5) 1.46 2.48 -5.14 2 3 0 41 179.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-[(2S)-pyrrolidin-2-yl]imidazole 1-ethyl-2-[(2S)-pyrrolidin-2-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) 0.62 5.2 -96.84 3 3 2 36 167.256 2 ↓
Hi High (pH 8-9.5) 0.62 3.22 -8.3 1 3 0 30 165.24 2 ↓
Hi High (pH 8-9.5) 0.62 3.71 -24.25 2 3 1 31 166.248 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2-[(2R)-pyrrolidin-2-yl]imidazole 1-ethyl-2-[(2R)-pyrrolidin-2-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) 0.62 5.18 -97.08 3 3 2 36 167.256 2 ↓
Hi High (pH 8-9.5) 0.62 3.89 -26.56 2 3 1 31 166.248 2 ↓
Hi High (pH 8-9.5) 0.62 3.32 -5.96 1 3 0 30 165.24 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propyl-2-[(2S)-pyrrolidin-2-yl]imidazole 1-propyl-2-[(2S)-pyrrolidin-2-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) 1.12 5.24 -35.64 2 3 1 34 180.275 3 ↓
Hi High (pH 8-9.5) 1.12 4.47 -24.25 2 3 1 31 180.275 3 ↓
Hi High (pH 8-9.5) 1.12 3.97 -7.87 1 3 0 30 179.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-propyl-2-[(2R)-pyrrolidin-2-yl]imidazole 1-propyl-2-[(2R)-pyrrolidin-2-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) 1.12 5.42 -34.8 2 3 1 34 180.275 3 ↓
Hi High (pH 8-9.5) 1.12 4.65 -26.61 2 3 1 31 180.275 3 ↓
Hi High (pH 8-9.5) 1.12 4.08 -5.57 1 3 0 30 179.267 3 ↓

Parameters Provided:

ring.id = 119504
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 = 119504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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