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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(3S)-1-methylpyrrolidin-3-yl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(3S)-1-methylp…

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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 1.32 -35.75 2 4 1 45 185.247 1 ↓
Hi High (pH 8-9.5) -0.70 -1.36 -8.27 1 4 0 44 184.239 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-hydroxy-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(3R)-1-methylp…

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) -0.70 1.28 -34.8 2 4 1 45 185.247 1 ↓
Hi High (pH 8-9.5) -0.70 -1.25 -9.68 1 4 0 44 184.239 1 ↓

Parameters Provided:

ring.id = 508815
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 = 508815 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=508815&filter.purchasability=annotated

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