UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11974965
11974965

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Popular Name: 2-[(3S)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetami 2-[(3S)-1-cyclohexyl-3-(2-fluoro…

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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) 2.17 0.36 -11.21 1 6 0 78 404.482 7 ↓

Analogs

11974960
11974960

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Popular Name: 2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-N-ethyl-N-(2-hydroxyethyl)acetami 2-[(3R)-1-cyclohexyl-3-(2-fluoro…

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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) 2.17 0.34 -11.37 1 6 0 78 404.482 7 ↓

Analogs

26261887
26261887
26261893
26261893

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Popular Name: (3R)-1-(4-aminocyclohexyl)-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3R)-1-(4-aminocyclohexyl)-3-met…

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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) 1.13 6.11 -47.46 3 4 1 65 287.383 2 ↓

Analogs

26261887
26261887
26261893
26261893

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-aminocyclohexyl)-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3S)-1-(4-aminocyclohexyl)-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.13 6.11 -47.49 3 4 1 65 287.383 2 ↓

Parameters Provided:

ring.id = 62605
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 = 62605 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=62605&filter.purchasability=annotated

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