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Analogs

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Popular Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethyl-1,2,4-triazole-3-thiol 5-(1,1-dioxo-1,4-thiazinan-4-yl)…

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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) -0.49 4.4 -19.15 1 6 0 71 262.36 2 ↓

Analogs

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Popular Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propyl-1,2,4-triazole-3-thiol 5-(1,1-dioxo-1,4-thiazinan-4-yl)…

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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) 0.01 5.13 -18.75 1 6 0 71 276.387 3 ↓
Mid Mid (pH 6-8) 0.74 5.38 -47.99 0 6 -1 68 275.379 3 ↓

Analogs

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Popular Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2,4-triazole-3-thiol 5-(1,1-dioxo-1,4-thiazinan-4-yl)…

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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) -0.87 3.54 -19.84 1 6 0 71 248.333 1 ↓

Analogs

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Popular Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-isopropyl-1,2,4-triazole-3-thiol 5-(1,1-dioxo-1,4-thiazinan-4-yl)…

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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) -0.13 4.64 -17.96 1 6 0 71 276.387 2 ↓

Parameters Provided:

ring.id = 114384
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 = 114384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=114384&filter.purchasability=annotated

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