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Analogs

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Popular Name: (3R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(4-methyl-1,2,5-oxadiazo…

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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) -0.06 -0.42 -75.07 2 6 1 90 232.285 3 ↓
Mid Mid (pH 6-8) -0.06 -1.6 -20.07 1 6 0 85 231.277 3 ↓

Analogs

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Popular Name: (3S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[(4-methyl-1,2,5-oxadiazo…

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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) -0.06 -0.39 -75.99 2 6 1 90 232.285 3 ↓
Mid Mid (pH 6-8) -0.06 -1.56 -22.74 1 6 0 85 231.277 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-3-methyl-N-[(4-methyl-1,2,5…

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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) 0.38 0.03 -70.23 2 6 1 90 246.312 3 ↓
Mid Mid (pH 6-8) 0.38 -1.16 -22.1 1 6 0 85 245.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,1-dioxo-thiolan-3-amine (3S)-3-methyl-N-[(4-methyl-1,2,5…

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) 0.38 -0.01 -71.56 2 6 1 90 246.312 3 ↓
Mid Mid (pH 6-8) 0.38 -1.2 -21.36 1 6 0 85 245.304 3 ↓

Parameters Provided:

ring.id = 459987
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 = 459987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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