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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-[(1-ethylimidazol-2-yl)methyl]imidazole-2-carbaldehyde 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 5.74 -17.24 0 5 0 53 204.233 4 ↓
Lo Low (pH 4.5-6) 0.02 6.26 -48.03 1 5 1 54 205.241 4 ↓

Analogs

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Popular Name: [1-[(1-ethylimidazol-2-yl)methyl]imidazol-2-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) -0.43 3.42 -12.91 1 5 0 56 206.249 4 ↓
Mid Mid (pH 6-8) -0.43 4.05 -31.72 2 5 1 57 207.257 4 ↓
Lo Low (pH 4.5-6) -0.43 4.58 -88.99 3 5 2 58 208.265 4 ↓

Analogs

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Popular Name: [1-[(1-ethylimidazol-2-yl)methyl]imidazol-2-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) -0.58 4.1 -44.92 3 5 1 63 206.273 4 ↓
Hi High (pH 8-9.5) -0.58 3.7 -11.77 2 5 0 62 205.265 4 ↓
Mid Mid (pH 6-8) -0.58 4.85 -30.8 3 5 1 63 206.273 4 ↓

Analogs

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Popular Name: 1-[1-[(1-ethylimidazol-2-yl)methyl]imidazol-2-yl]-N-methyl-methanamine 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) -0.21 5.97 -39.54 2 5 1 52 220.3 5 ↓
Hi High (pH 8-9.5) -0.21 4.53 -11.51 1 5 0 48 219.292 5 ↓
Lo Low (pH 4.5-6) -0.21 6.44 -99.97 3 5 2 54 221.308 5 ↓

Analogs

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Popular Name: N-[[1-[(1-ethylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine N-[[1-[(1-ethylimidazol-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) 0.17 6.83 -38.05 2 5 1 52 234.327 6 ↓
Hi High (pH 8-9.5) 0.17 5.47 -9.8 1 5 0 48 233.319 6 ↓
Lo Low (pH 4.5-6) 0.17 7.31 -100.04 3 5 2 54 235.335 6 ↓

Analogs

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Popular Name: N-[[1-[(1-ethylimidazol-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine N-[[1-[(1-ethylimidazol-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) 0.67 7.58 -38.7 2 5 1 52 248.354 7 ↓
Hi High (pH 8-9.5) 0.67 6.23 -9.63 1 5 0 48 247.346 7 ↓
Lo Low (pH 4.5-6) 0.67 8.06 -101.62 3 5 2 54 249.362 7 ↓

Analogs

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Popular Name: N-[[1-[(1-ethylimidazol-2-yl)methyl]imidazol-2-yl]methyl]propan-2-amine N-[[1-[(1-ethylimidazol-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) 0.46 7.36 -36.63 2 5 1 52 248.354 6 ↓
Hi High (pH 8-9.5) 0.46 6.16 -10.86 1 5 0 48 247.346 6 ↓
Lo Low (pH 4.5-6) 0.46 7.81 -99.1 3 5 2 54 249.362 6 ↓

Analogs

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Popular Name: N-[[1-[(1-ethylimidazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1-ethylimidazol-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) 0.98 7.78 -34.81 2 5 1 52 262.381 6 ↓
Hi High (pH 8-9.5) 0.98 6.55 -10.82 1 5 0 48 261.373 6 ↓
Lo Low (pH 4.5-6) 0.98 7.5 -94.08 3 5 2 54 263.389 6 ↓

Parameters Provided:

ring.id = 151581
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 = 151581 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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