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43605253
43605253

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Popular Name: 8-[(3S)-3-methylpyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[(3S)-3-methylpyrrolidine-3-ca…

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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) -0.73 -0.72 -49.68 4 7 1 95 281.336 1 ↓
Hi High (pH 8-9.5) -0.54 -3.35 -69.2 3 7 0 101 280.328 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(3R)-3-methylpyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[(3R)-3-methylpyrrolidine-3-ca…

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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) -0.73 -0.66 -49.6 4 7 1 95 281.336 1 ↓
Hi High (pH 8-9.5) -0.54 -3.31 -70.39 3 7 0 101 280.328 1 ↓

Analogs

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Popular Name: 8-[(3S)-3-ethylpyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[(3S)-3-ethylpyrrolidine-3-car…

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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) -0.39 -0.15 -57.48 4 7 1 95 295.363 2 ↓
Hi High (pH 8-9.5) -0.21 -2.79 -78.03 3 7 0 101 294.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(3R)-3-ethylpyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[(3R)-3-ethylpyrrolidine-3-car…

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) -0.39 -0.21 -53.64 4 7 1 95 295.363 2 ↓
Hi High (pH 8-9.5) -0.21 -2.85 -69.8 3 7 0 101 294.355 2 ↓

Parameters Provided:

ring.id = 302609
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 = 302609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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