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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: (3R)-3-[(2S)-2-(pyrazol-1-ylmethyl)-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[(2S)-2-(pyrazol-1-ylmeth…

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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) 0.14 4.93 -9.12 0 5 0 47 249.314 3 ↓
Mid Mid (pH 6-8) 0.14 6.99 -39.33 1 5 1 49 250.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(2R)-2-(pyrazol-1-ylmethyl)-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[(2R)-2-(pyrazol-1-ylmeth…

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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) 0.14 5.96 -7.94 0 5 0 47 249.314 3 ↓
Mid Mid (pH 6-8) 0.14 6.96 -42.83 1 5 1 49 250.322 3 ↓

Analogs

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Popular Name: (3R,5S)-3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2-one (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) 0.70 6.4 -9.04 0 5 0 47 291.395 3 ↓
Mid Mid (pH 6-8) 0.70 8.49 -39.33 1 5 1 49 292.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2-one (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) 0.70 6.74 -10.35 0 5 0 47 291.395 3 ↓
Mid Mid (pH 6-8) 0.70 8.81 -43.35 1 5 1 49 292.403 3 ↓

Parameters Provided:

ring.id = 466656
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 = 466656 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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