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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: (1,1-dioxo-1,4-thiazinan-4-yl)-[(2S)-piperazin-2-yl]methanone (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) -2.01 -3.08 -63.51 3 6 1 83 248.328 1 ↓
Mid Mid (pH 6-8) -2.01 -4.43 -15.15 2 6 0 79 247.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R)-piperazin-2-yl]methanone (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) -2.01 -2.95 -61.79 3 6 1 83 248.328 1 ↓
Mid Mid (pH 6-8) -2.01 -4.3 -14.83 2 6 0 79 247.32 1 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[(2S,5R)-5-methylpiperazin-2-yl]methanone (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) -1.32 -2.6 -54.47 3 6 1 83 262.355 1 ↓
Mid Mid (pH 6-8) -1.32 -3.75 -14.87 2 6 0 79 261.347 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[(2S,5S)-5-methylpiperazin-2-yl]methanone (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) -1.32 -2.4 -61.07 3 6 1 83 262.355 1 ↓
Mid Mid (pH 6-8) -1.32 -3.67 -14.96 2 6 0 79 261.347 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,5R)-5-methylpiperazin-2-yl]methanone (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) -1.32 -2.29 -59.36 3 6 1 83 262.355 1 ↓
Mid Mid (pH 6-8) -1.32 -3.57 -14.6 2 6 0 79 261.347 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,5S)-5-methylpiperazin-2-yl]methanone (1,1-dioxo-1,4-thiazinan-4-yl)-[…

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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) -1.32 -2.52 -54.78 3 6 1 83 262.355 1 ↓
Mid Mid (pH 6-8) -1.32 -3.8 -14.9 2 6 0 79 261.347 1 ↓

Parameters Provided:

ring.id = 279081
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 = 279081 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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