UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-3-methyl-3-(4-methyl-3-nitro-phenyl)pyrrolidine-2,5-dione (3S)-3-methyl-3-(4-methyl-3-nitr…

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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) 1.61 1.94 -50.64 0 6 -1 98 247.23 2 ↓
Mid Mid (pH 6-8) 1.43 4.48 -12.09 1 6 0 92 248.238 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-3-(4-methyl-3-nitro-phenyl)pyrrolidine-2,5-dione (3R)-3-methyl-3-(4-methyl-3-nitr…

Find On: PubMed — Wikipedia — Google

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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) 1.61 1.95 -39.88 0 6 -1 98 247.23 2 ↓
Mid Mid (pH 6-8) 1.43 4.5 -11.79 1 6 0 92 248.238 2 ↓

Analogs

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Popular Name: (3R)-3-ethyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione (3R)-3-ethyl-3-(3-nitrophenyl)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) 1.54 1.8 -52.19 0 6 -1 98 247.23 3 ↓
Mid Mid (pH 6-8) 1.35 4.31 -15.63 1 6 0 92 248.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione (3S)-3-ethyl-3-(3-nitrophenyl)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) 1.54 1.8 -52.23 0 6 -1 98 247.23 3 ↓
Mid Mid (pH 6-8) 1.35 4.31 -15.61 1 6 0 92 248.238 3 ↓

Parameters Provided:

ring.id = 568813
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 = 568813 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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