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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(p-tolylmethyl)imidazol-2-yl]benzoic 2-[1-(p-tolylmethyl)imidazol-2-y…

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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) 3.68 11.42 -62.89 0 4 -1 58 291.33 4 ↓
Mid Mid (pH 6-8) 3.68 11.82 -40.6 1 4 0 59 292.338 4 ↓

Analogs

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Popular Name: 2-(2,3-difluoro-4-methoxy-phenyl)-1-[(4-methoxyphenyl)methyl]imidazole 2-(2,3-difluoro-4-methoxy-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) 4.00 8.95 -18.1 0 4 0 36 330.334 5 ↓
Mid Mid (pH 6-8) 4.00 9.42 -39.81 1 4 1 38 331.342 5 ↓

Analogs

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Popular Name: 4-[[2-(2,3-difluorophenyl)imidazol-1-yl]methyl]benzenesulfonamide 4-[[2-(2,3-difluorophenyl)imidaz…

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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 5.23 -21.55 2 5 0 78 349.362 4 ↓
Lo Low (pH 4.5-6) 2.63 5.69 -46.34 3 5 1 79 350.37 4 ↓

Analogs

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Popular Name: (2R)-N-methyl-2-phenyl-2-(2-phenylimidazol-1-yl)ethanamine (2R)-N-methyl-2-phenyl-2-(2-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) 3.48 9.63 -50.53 2 3 1 34 278.379 5 ↓
Hi High (pH 8-9.5) 3.48 8.29 -8 1 3 0 30 277.371 5 ↓
Mid Mid (pH 6-8) 3.48 10.07 -97.86 3 3 2 36 279.387 5 ↓

Analogs

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Popular Name: (2S)-N-methyl-2-phenyl-2-(2-phenylimidazol-1-yl)ethanamine (2S)-N-methyl-2-phenyl-2-(2-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) 3.48 9.7 -43.69 2 3 1 34 278.379 5 ↓
Hi High (pH 8-9.5) 3.48 8.07 -8.37 1 3 0 30 277.371 5 ↓
Mid Mid (pH 6-8) 3.48 10.23 -98.26 3 3 2 36 279.387 5 ↓

Analogs

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Popular Name: (3S)-3-phenyl-3-(2-phenylimidazol-1-yl)propan-1-amine (3S)-3-phenyl-3-(2-phenylimidazo…

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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 8.44 -55.88 3 3 1 45 278.379 5 ↓
Mid Mid (pH 6-8) 2.77 8.89 -98.1 4 3 2 47 279.387 5 ↓

Analogs

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Popular Name: (3R)-3-phenyl-3-(2-phenylimidazol-1-yl)propan-1-amine (3R)-3-phenyl-3-(2-phenylimidazo…

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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 8.56 -50.27 3 3 1 45 278.379 5 ↓
Mid Mid (pH 6-8) 2.77 9.09 -98.44 4 3 2 47 279.387 5 ↓

Analogs

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Popular Name: (3S)-3-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile (3S)-3-phenyl-3-(2-phenylimidazo…

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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) 3.15 10.82 -11.8 0 3 0 42 273.339 4 ↓
Mid Mid (pH 6-8) 3.15 11.27 -39.26 1 3 1 43 274.347 4 ↓

Analogs

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Popular Name: (3R)-3-phenyl-3-(2-phenylimidazol-1-yl)propanenitrile (3R)-3-phenyl-3-(2-phenylimidazo…

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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) 3.15 10.82 -15.32 0 3 0 42 273.339 4 ↓
Mid Mid (pH 6-8) 3.15 11.35 -34.94 1 3 1 43 274.347 4 ↓

Analogs

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Popular Name: 2-(2-ethoxyphenyl)-1-(o-tolylmethyl)imidazole 2-(2-ethoxyphenyl)-1-(o-tolylmet…

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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) 4.49 10.74 -11.11 0 3 0 27 292.382 5 ↓
Mid Mid (pH 6-8) 4.49 11.22 -26.61 1 3 1 28 293.39 5 ↓

Analogs

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Popular Name: 3-[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]aniline 3-[1-[(2,5-dimethylphenyl)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) 3.58 8.94 -7.5 2 3 0 44 277.371 3 ↓
Mid Mid (pH 6-8) 3.58 9.39 -26.44 3 3 1 45 278.379 3 ↓

Analogs

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Popular Name: 4-[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]aniline 4-[1-[(2,5-dimethylphenyl)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) 3.61 9.39 -26.06 3 3 1 45 278.379 3 ↓
Mid Mid (pH 6-8) 3.61 8.94 -7.65 2 3 0 44 277.371 3 ↓

Analogs

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Popular Name: 3-[1-[(2-chloro-6-fluoro-phenyl)methyl]imidazol-2-yl]aniline 3-[1-[(2-chloro-6-fluoro-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) 3.50 8.17 -9.39 2 3 0 44 301.752 3 ↓
Mid Mid (pH 6-8) 3.50 8.67 -25.34 3 3 1 45 302.76 3 ↓

Analogs

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Popular Name: 4-[1-[(2-chloro-6-fluoro-phenyl)methyl]imidazol-2-yl]aniline 4-[1-[(2-chloro-6-fluoro-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) 3.53 8.65 -24.88 3 3 1 45 302.76 3 ↓
Mid Mid (pH 6-8) 3.53 8.19 -9.57 2 3 0 44 301.752 3 ↓

Analogs

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Popular Name: [4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine [4-[[2-(2-fluorophenyl)imidazol-…

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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 8.23 -51.63 3 3 1 45 282.342 4 ↓
Hi High (pH 8-9.5) 3.00 7.82 -12.95 2 3 0 44 281.334 4 ↓
Mid Mid (pH 6-8) 3.00 8.69 -82.99 4 3 2 47 283.35 4 ↓

Analogs

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Popular Name: 1-[4-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]phenyl]ethanone 1-[4-[1-[(2-chlorophenyl)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) 4.23 10.7 -10.42 0 3 0 35 310.784 4 ↓
Mid Mid (pH 6-8) 4.23 11.24 -34.8 1 3 1 36 311.792 4 ↓

Parameters Provided:

ring.id = 25643
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 = 25643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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