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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: 2,2,2-trifluoro-1-[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(1-methyli…

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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) 0.30 4.64 -42.97 1 6 1 67 260.199 4 ↓
Mid Mid (pH 6-8) 0.30 4.21 -12.27 0 6 0 66 259.191 4 ↓

Analogs

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Popular Name: 1-[1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(5-chloro-1-methyl-imidazo…

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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) 1.10 4.57 -11.76 0 6 0 66 293.636 4 ↓
Mid Mid (pH 6-8) 1.10 4.88 -44.6 1 6 1 67 294.644 4 ↓

Analogs

52221897
52221897

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]triazole-4-carboxylic 1-[(1-ethylimidazol-2-yl)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) -0.20 4.93 -64.49 1 7 0 90 221.22 4 ↓
Mid Mid (pH 6-8) -0.20 4.56 -53.96 0 7 -1 89 220.212 4 ↓

Analogs

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Popular Name: 5-tert-butyl-1-[(1-ethylimidazol-2-yl)methyl]triazole-4-carboxylic 5-tert-butyl-1-[(1-ethylimidazol…

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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) 1.74 6.91 -66.04 1 7 0 90 277.328 5 ↓
Mid Mid (pH 6-8) 1.74 5.95 -57.02 0 7 -1 89 276.32 5 ↓

Analogs

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Popular Name: 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazole-4-carboxylic 5-ethyl-1-[(1-ethylimidazol-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) 0.59 6.25 -65.63 1 7 0 90 249.274 5 ↓
Mid Mid (pH 6-8) 0.59 5.76 -53.95 0 7 -1 89 248.266 5 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-5-isopropyl-triazole-4-carboxylic 1-[(1-ethylimidazol-2-yl)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) 1.07 6.5 -65.02 1 7 0 90 263.301 5 ↓
Mid Mid (pH 6-8) 1.07 6.03 -52.55 0 7 -1 89 262.293 5 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-5-methyl-triazole-4-carboxylic 1-[(1-ethylimidazol-2-yl)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) 0.02 5.5 -66.81 1 7 0 90 235.247 4 ↓
Mid Mid (pH 6-8) 0.02 5.05 -54.76 0 7 -1 89 234.239 4 ↓

Analogs

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Popular Name: 1-[(1-ethylimidazol-2-yl)methyl]-5-propyl-triazole-4-carboxylic 1-[(1-ethylimidazol-2-yl)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) 1.09 7.03 -66.16 1 7 0 90 263.301 6 ↓
Mid Mid (pH 6-8) 1.09 6.54 -54.22 0 7 -1 89 262.293 6 ↓

Analogs

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Popular Name: [1-[(1-ethylimidazol-2-yl)methyl]triazol-4-yl]methanamine [1-[(1-ethylimidazol-2-yl)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) -0.59 2.45 -94.25 4 6 2 77 208.269 4 ↓
Hi High (pH 8-9.5) -0.59 1.69 -11.31 2 6 0 75 206.253 4 ↓
Mid Mid (pH 6-8) -0.59 2.1 -51.18 3 6 1 76 207.261 4 ↓

Analogs

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Popular Name: [1-[(1-ethylimidazol-2-yl)methyl]triazol-4-yl]methanol [1-[(1-ethylimidazol-2-yl)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) -0.44 1.79 -36.67 2 6 1 70 208.245 4 ↓
Mid Mid (pH 6-8) -0.44 1.43 -12.14 1 6 0 69 207.237 4 ↓

Analogs

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Popular Name: 2-[1-[(1-ethylimidazol-2-yl)methyl]triazol-4-yl]ethanol 2-[1-[(1-ethylimidazol-2-yl)meth…

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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) -0.23 2.48 -39.47 2 6 1 70 222.272 5 ↓
Mid Mid (pH 6-8) -0.23 2.13 -12.94 1 6 0 69 221.264 5 ↓

Analogs

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Popular Name: 4-(chloromethyl)-1-[(1-ethylimidazol-2-yl)methyl]triazole 4-(chloromethyl)-1-[(1-ethylimid…

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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) 0.80 5.66 -39.58 1 5 1 50 226.691 4 ↓
Mid Mid (pH 6-8) 0.80 5.31 -12.07 0 5 0 49 225.683 4 ↓

Analogs

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Popular Name: 4-(2-chloroethyl)-1-[(1-ethylimidazol-2-yl)methyl]triazole 4-(2-chloroethyl)-1-[(1-ethylimi…

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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) 1.01 6.45 -38.89 1 5 1 50 240.718 5 ↓
Mid Mid (pH 6-8) 1.01 6.1 -11.55 0 5 0 49 239.71 5 ↓

Analogs

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Popular Name: 4-(bromomethyl)-1-[(1-ethylimidazol-2-yl)methyl]triazole 4-(bromomethyl)-1-[(1-ethylimida…

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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) 0.93 5.76 -39.27 1 5 1 50 271.142 4 ↓
Mid Mid (pH 6-8) 0.93 5.41 -11.72 0 5 0 49 270.134 4 ↓

Analogs

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Popular Name: 4-(2-bromoethyl)-1-[(1-ethylimidazol-2-yl)methyl]triazole 4-(2-bromoethyl)-1-[(1-ethylimid…

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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) 1.14 6.55 -38.72 1 5 1 50 285.169 5 ↓
Mid Mid (pH 6-8) 1.14 6.19 -11.46 0 5 0 49 284.161 5 ↓

Analogs

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Popular Name: 1-[1-[(1-ethylimidazol-2-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(1-ethylimidazol-2-yl)meth…

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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) 0.67 5.31 -42.29 1 6 1 67 274.226 5 ↓
Mid Mid (pH 6-8) 0.67 4.95 -11.58 0 6 0 66 273.218 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1-methylimidazol-2-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(1-methylimidazol-2-yl)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) 0.04 2.86 -101.77 4 6 2 77 222.296 3 ↓
Hi High (pH 8-9.5) 0.04 2.16 -12.02 2 6 0 75 220.28 3 ↓
Mid Mid (pH 6-8) 0.04 2.42 -53.65 3 6 1 76 221.288 3 ↓

Analogs

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Popular Name: 2-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-2-amine 2-[1-[[1-(difluoromethyl)imidazo…

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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) 0.60 2.45 -55.71 3 6 1 76 257.268 4 ↓
Hi High (pH 8-9.5) 0.60 2.19 -13.93 2 6 0 75 256.26 4 ↓
Lo Low (pH 4.5-6) 0.60 2.89 -101.08 4 6 2 77 258.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1-ethylimidazol-2-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(1-ethylimidazol-2-yl)meth…

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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) 0.42 3.62 -95.74 4 6 2 77 236.323 4 ↓
Hi High (pH 8-9.5) 0.42 3.02 -11.11 2 6 0 75 234.307 4 ↓
Mid Mid (pH 6-8) 0.42 3.27 -50.93 3 6 1 76 235.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(5-chloro-1-methyl-imidazo…

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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) 0.84 2.78 -54.45 3 6 1 76 255.733 3 ↓
Hi High (pH 8-9.5) 0.84 2.53 -10.8 2 6 0 75 254.725 3 ↓
Mid Mid (pH 6-8) 0.84 3.22 -104.28 4 6 2 77 256.741 3 ↓

Parameters Provided:

ring.id = 103898
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 = 103898 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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