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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: (3R)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[(2S)-2-[(3,5-dimethyl-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) -0.61 5.5 -11.35 0 6 0 60 278.356 3 ↓
Mid Mid (pH 6-8) -0.61 7.57 -44.22 1 6 1 61 279.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[(2R)-2-[(3,5-dimethyl-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) -0.61 6.02 -12.35 0 6 0 60 278.356 3 ↓
Mid Mid (pH 6-8) -0.61 8.1 -48.62 1 6 1 61 279.364 3 ↓

Analogs

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Popular Name: (3R,5S)-3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2- (3R,5S)-3-[(2S)-2-[(3,5-dimethyl…

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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) -0.50 6.27 -10.98 0 6 0 60 292.383 3 ↓
Mid Mid (pH 6-8) -0.50 8.32 -44.06 1 6 1 61 293.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2- (3R,5S)-3-[(2R)-2-[(3,5-dimethyl…

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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) -0.50 6.78 -12.03 0 6 0 60 292.383 3 ↓
Mid Mid (pH 6-8) -0.50 8.86 -48.55 1 6 1 61 293.391 3 ↓

Parameters Provided:

ring.id = 411100
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 = 411100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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