UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylmethyl [4-(2-oxopyrrolidin-1-yl)phenyl]…

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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) 3.02 1.29 -23.16 1 7 0 84 402.834 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylmethyl [4-(2-oxopyrrolidin-1-yl)phenyl]…

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) 2.61 1.66 -23.14 1 9 0 121 397.387 7 ↓

Analogs

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Popular Name: [2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]amino]ethyl] [2-oxo-2-[[4-(2-oxopyrrolidin-1-…

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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) 2.59 10.81 -25 1 10 0 131 427.413 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]amino]ethyl] [2-oxo-2-[[4-(2-oxopyrrolidin-1-…

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) 3.07 9.11 -21.04 1 7 0 85 447.285 7 ↓

Parameters Provided:

ring.id = 4872
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 = 4872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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