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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: [(3S)-3-imidazol-1-yl-1-piperidyl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone [(3S)-3-imidazol-1-yl-1-piperidy…

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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) 0.07 6.25 -47.24 1 7 1 78 312.353 2 ↓
Mid Mid (pH 6-8) 0.07 5.54 -19.64 0 7 0 77 311.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-imidazol-1-yl-1-piperidyl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone [(3R)-3-imidazol-1-yl-1-piperidy…

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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) 0.07 6.27 -50.76 1 7 1 78 312.353 2 ↓
Mid Mid (pH 6-8) 0.07 5.56 -17.18 0 7 0 77 311.345 2 ↓

Analogs

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Popular Name: [(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone [(3S)-3-(2-methylimidazol-1-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) 0.16 5.98 -44.29 1 7 1 78 326.38 2 ↓
Mid Mid (pH 6-8) 0.16 5.51 -20.07 0 7 0 77 325.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone [(3R)-3-(2-methylimidazol-1-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) 0.16 6 -47.44 1 7 1 78 326.38 2 ↓
Mid Mid (pH 6-8) 0.16 5.52 -17.65 0 7 0 77 325.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(2-ethylimidazol-1-yl)-1-piperidyl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone [(3R)-3-(2-ethylimidazol-1-yl)-1…

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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) 0.73 6.61 -46.33 1 7 1 78 340.407 3 ↓
Mid Mid (pH 6-8) 0.73 6.14 -17.12 0 7 0 77 339.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(2-ethylimidazol-1-yl)-1-piperidyl]-(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone [(3S)-3-(2-ethylimidazol-1-yl)-1…

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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) 0.73 6.6 -43.49 1 7 1 78 340.407 3 ↓
Mid Mid (pH 6-8) 0.73 6.14 -19.57 0 7 0 77 339.399 3 ↓

Parameters Provided:

ring.id = 478742
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 = 478742 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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