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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11817169
11817169

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Popular Name: (5S)-9-(m-tolylmethyl)-2-tetrahydrothiopyran-4-yl-2,9-diazaspiro[4.5]decan-10-one (5S)-9-(m-tolylmethyl)-2-tetrahy…

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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) 3.04 0.2 -41.75 1 3 1 25 359.559 3 ↓

Analogs

11817168
11817168

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-9-(m-tolylmethyl)-2-tetrahydrothiopyran-4-yl-2,9-diazaspiro[4.5]decan-10-one (5R)-9-(m-tolylmethyl)-2-tetrahy…

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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) 3.04 0.2 -41.88 1 3 1 25 359.559 3 ↓

Analogs

11839833
11839833

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Popular Name: (5S)-9-[(3,4-difluorophenyl)methyl]-2-tetrahydrothiopyran-4-yl-2,9-diazaspiro[4.5]decan-10-one (5S)-9-[(3,4-difluorophenyl)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) 2.87 1.35 -44.51 1 3 1 25 381.512 3 ↓

Analogs

11839831
11839831

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Popular Name: (5R)-9-[(3,4-difluorophenyl)methyl]-2-tetrahydrothiopyran-4-yl-2,9-diazaspiro[4.5]decan-10-one (5R)-9-[(3,4-difluorophenyl)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) 2.87 1.35 -45.68 1 3 1 25 381.512 3 ↓

Parameters Provided:

ring.id = 49946
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 = 49946 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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