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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-1,1-dioxo-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[2-(1H-1,2,4-tr…

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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 1.47 -68.08 3 6 1 92 263.368 5 ↓
Mid Mid (pH 6-8) -0.38 0.28 -18.16 2 6 0 88 262.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]thiolan-3-amine (3S)-1,1-dioxo-N-[2-(1H-1,2,4-tr…

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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 1.48 -68.39 3 6 1 92 263.368 5 ↓
Mid Mid (pH 6-8) -0.38 0.31 -18.92 2 6 0 88 262.36 5 ↓

Analogs

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Popular Name: (3R)-N-[2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-[(5-methyl-4H-1,2,4-tr…

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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) -0.30 1.34 -68.58 3 6 1 92 277.395 5 ↓
Mid Mid (pH 6-8) -0.30 0.13 -17.73 2 6 0 88 276.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-[(5-methyl-4H-1,2,4-tr…

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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) -0.30 1.36 -68.82 3 6 1 92 277.395 5 ↓
Mid Mid (pH 6-8) -0.30 0.17 -18.44 2 6 0 88 276.387 5 ↓

Parameters Provided:

ring.id = 96864
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 = 96864 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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