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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: (2S,6R)-1-(1H-imidazol-4-ylmethyl)-2,6-dimethyl-piperazine (2S,6R)-1-(1H-imidazol-4-ylmethy…

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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) -0.08 2.55 -89.9 4 4 2 50 196.298 2 ↓
Mid Mid (pH 6-8) -0.08 2.03 -37.83 3 4 1 49 195.29 2 ↓

Analogs

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Popular Name: (2S,6S)-1-(1H-imidazol-4-ylmethyl)-2,6-dimethyl-piperazine (2S,6S)-1-(1H-imidazol-4-ylmethy…

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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) -0.08 2.62 -85.08 4 4 2 50 196.298 2 ↓
Mid Mid (pH 6-8) -0.08 2.44 -38.77 3 4 1 49 195.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-1-(1H-imidazol-4-ylmethyl)-2,6-dimethyl-piperazine (2R,6R)-1-(1H-imidazol-4-ylmethy…

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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) -0.08 2.91 -85.91 4 4 2 50 196.298 2 ↓
Mid Mid (pH 6-8) -0.08 2.14 -40.98 3 4 1 49 195.29 2 ↓

Analogs

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Popular Name: (2R)-1-(1H-imidazol-4-ylmethyl)-2-methyl-piperazine (2R)-1-(1H-imidazol-4-ylmethyl)-…

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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) -0.40 2.46 -87.04 4 4 2 50 182.271 2 ↓
Mid Mid (pH 6-8) -0.40 1.7 -41.8 3 4 1 49 181.263 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1H-imidazol-4-ylmethyl)-2-methyl-piperazine (2S)-1-(1H-imidazol-4-ylmethyl)-…

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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) -0.40 2.16 -86.05 4 4 2 50 182.271 2 ↓
Mid Mid (pH 6-8) -0.40 1.99 -38.86 3 4 1 49 181.263 2 ↓

Analogs

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Popular Name: (2S)-4-[(2-butyl-5-chloro-1H-imidazol-4-yl)methyl]-1-methyl-piperazine-2-carboxylic (2S)-4-[(2-butyl-5-chloro-1H-imi…

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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) 0.16 6.79 -68.14 3 6 1 78 315.825 6 ↓
Mid Mid (pH 6-8) 0.16 6.37 -36.26 2 6 0 76 314.817 6 ↓

Parameters Provided:

ring.id = 255465
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 = 255465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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