UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34344122
34344122
34344123
34344123
34344124
34344124
34344125
34344125
34344183
34344183

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Popular Name: N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentyl-pyrrolidin-3-yl]acetamide N-benzyl-2-[(3R,4R)-1-cyclohexyl…

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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) 5.39 13.13 -17.22 1 4 0 49 384.564 9 ↓

Analogs

34344118
34344118
34344119
34344119
34344120
34344120
34344121
34344121
34344122
34344122

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Popular Name: N-benzyl-2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxo-pyrrolidin-3-yl]acetamide N-benzyl-2-[(3R,4R)-1-cyclohexyl…

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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) 3.32 10.17 -17.51 1 4 0 49 328.456 5 ↓

Analogs

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Popular Name: 2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentyl-pyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[(3R,4R)-1-cyclohexyl-2-oxo-4-…

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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) 5.45 12.43 -18.08 1 5 0 59 414.59 10 ↓

Parameters Provided:

ring.id = 253810
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 = 253810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=253810&filter.purchasability=annotated

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