UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1'-[(3S)-1-(m-tolyl)-5-oxo-pyrrolidine-3-carbonyl]spiro[chroman-2,4'-piperidine]-4-one 1'-[(3S)-1-(m-tolyl)-5-oxo-pyrro…

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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) 2.92 10.73 -19.45 0 6 0 67 418.493 2 ↓

Analogs

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Popular Name: 1'-[(3R)-1-(m-tolyl)-5-oxo-pyrrolidine-3-carbonyl]spiro[chroman-2,4'-piperidine]-4-one 1'-[(3R)-1-(m-tolyl)-5-oxo-pyrro…

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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) 2.92 10.76 -15.76 0 6 0 67 418.493 2 ↓

Analogs

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Popular Name: 1'-[(3S)-1-(3-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]spiro[chroman-2,4'-piperidine]-4-one 1'-[(3S)-1-(3-fluorophenyl)-5-ox…

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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) 2.64 10.12 -22.05 0 6 0 67 422.456 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[(3R)-1-(3-fluorophenyl)-5-oxo-pyrrolidine-3-carbonyl]spiro[chroman-2,4'-piperidine]-4-one 1'-[(3R)-1-(3-fluorophenyl)-5-ox…

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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) 2.64 10.15 -14.81 0 6 0 67 422.456 2 ↓

Parameters Provided:

ring.id = 115143
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 = 115143 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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