UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38578129
38578129

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Popular Name: 3-[(2S)-1-oxoindan-2-yl]-N-(2-pyridylmethyl)propanamide 3-[(2S)-1-oxoindan-2-yl]-N-(2-py…

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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) 1.70 7.15 -12.11 1 4 0 59 294.354 5 ↓
Lo Low (pH 4.5-6) 1.70 7.55 -38.67 2 4 1 60 295.362 5 ↓

Analogs

38575715
38575715

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Popular Name: 3-[(2R)-1-oxoindan-2-yl]-N-(2-pyridylmethyl)propanamide 3-[(2R)-1-oxoindan-2-yl]-N-(2-py…

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) 1.70 7.15 -13.08 1 4 0 59 294.354 5 ↓
Lo Low (pH 4.5-6) 1.70 7.55 -39.4 2 4 1 60 295.362 5 ↓

Parameters Provided:

ring.id = 591904
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 = 591904 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=591904&filter.purchasability=annotated

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