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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: N-methyl-1-[2-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methanamine N-methyl-1-[2-[2-(1-oxo-1,4-thia…

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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 2.92 -43.76 2 4 1 46 283.417 6 ↓
Lo Low (pH 4.5-6) 0.39 5.13 -113.44 3 4 2 47 284.425 6 ↓

Analogs

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Popular Name: N-[[2-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[2-[2-(1-oxo-1,4-thiazinan-4-…

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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) 0.77 3.79 -42.63 2 4 1 46 297.444 7 ↓
Lo Low (pH 4.5-6) 0.77 5.99 -112.97 3 4 2 47 298.452 7 ↓

Analogs

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Popular Name: N-[[2-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]propan-1-amine N-[[2-[2-(1-oxo-1,4-thiazinan-4-…

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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) 1.27 4.54 -43.28 2 4 1 46 311.471 8 ↓
Lo Low (pH 4.5-6) 1.27 6.75 -114.44 3 4 2 47 312.479 8 ↓

Analogs

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Popular Name: N-[[2-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]propan-2-amine N-[[2-[2-(1-oxo-1,4-thiazinan-4-…

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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) 1.07 4.31 -41.62 2 4 1 46 311.471 7 ↓
Lo Low (pH 4.5-6) 1.07 6.52 -112.44 3 4 2 47 312.479 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[3-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methanamine N-methyl-1-[3-[2-(1-oxo-1,4-thia…

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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) 0.42 2.86 -48.55 2 4 1 46 283.417 6 ↓
Lo Low (pH 4.5-6) 0.42 5.07 -102.11 3 4 2 47 284.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[3-[2-(1-oxo-1,4-thiazinan-4-…

Find On: PubMed — Wikipedia — Google

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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) 0.79 3.72 -47.65 2 4 1 46 297.444 7 ↓
Lo Low (pH 4.5-6) 0.79 5.93 -101.66 3 4 2 47 298.452 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]propan-1-amine N-[[3-[2-(1-oxo-1,4-thiazinan-4-…

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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) 1.30 4.47 -48.47 2 4 1 46 311.471 8 ↓
Lo Low (pH 4.5-6) 1.30 6.67 -102.87 3 4 2 47 312.479 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]propan-2-amine N-[[3-[2-(1-oxo-1,4-thiazinan-4-…

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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) 1.09 4.25 -46.05 2 4 1 46 311.471 7 ↓
Lo Low (pH 4.5-6) 1.09 6.45 -100.45 3 4 2 47 312.479 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[4-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methanamine N-methyl-1-[4-[2-(1-oxo-1,4-thia…

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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) 0.44 2.86 -51.67 2 4 1 46 283.417 6 ↓
Lo Low (pH 4.5-6) 0.44 5.06 -101.99 3 4 2 47 284.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[4-[2-(1-oxo-1,4-thiazinan-4-…

Find On: PubMed — Wikipedia — Google

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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) 0.82 3.72 -50.93 2 4 1 46 297.444 7 ↓
Lo Low (pH 4.5-6) 0.82 5.93 -101.53 3 4 2 47 298.452 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]propan-1-amine N-[[4-[2-(1-oxo-1,4-thiazinan-4-…

Find On: PubMed — Wikipedia — Google

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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 4.47 -51.69 2 4 1 46 311.471 8 ↓
Lo Low (pH 4.5-6) 1.32 6.67 -102.72 3 4 2 47 312.479 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]propan-2-amine N-[[4-[2-(1-oxo-1,4-thiazinan-4-…

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) 1.12 4.25 -49.27 2 4 1 46 311.471 7 ↓
Lo Low (pH 4.5-6) 1.12 6.46 -100.66 3 4 2 47 312.479 7 ↓

Parameters Provided:

ring.id = 249521
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 = 249521 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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