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Analogs

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Popular Name: [4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanamine [4-cyclopropyl-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) -0.04 2.98 -56.55 3 4 1 61 272.419 3 ↓
Mid Mid (pH 6-8) -0.04 2.59 -17.08 2 4 0 59 271.411 3 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[4-cyclopropyl-2-(1-oxo-1,4-t…

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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) 1.46 7.18 -51.39 2 4 1 50 328.527 6 ↓
Hi High (pH 8-9.5) 1.46 5.81 -15.98 1 4 0 45 327.519 6 ↓

Analogs

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Popular Name: 1-[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]-N-methyl-methanamine 1-[4-cyclopropyl-2-(1-oxo-1,4-th…

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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) 0.34 4.87 -51.59 2 4 1 50 286.446 4 ↓
Hi High (pH 8-9.5) 0.34 3.43 -16.43 1 4 0 45 285.438 4 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]ethanamine N-[[4-cyclopropyl-2-(1-oxo-1,4-t…

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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) 0.71 5.73 -50.75 2 4 1 50 300.473 5 ↓
Hi High (pH 8-9.5) 0.71 4.36 -16.23 1 4 0 45 299.465 5 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]propan-1-amine N-[[4-cyclopropyl-2-(1-oxo-1,4-t…

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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) 1.22 6.48 -51.45 2 4 1 50 314.5 6 ↓
Hi High (pH 8-9.5) 1.22 5.12 -16.09 1 4 0 45 313.492 6 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[4-cyclopropyl-2-(1-oxo-1,4-t…

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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) 1.52 6.68 -46.8 2 4 1 50 328.527 5 ↓
Hi High (pH 8-9.5) 1.52 5.46 -15.94 1 4 0 45 327.519 5 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]-2-methoxy-ethanamine N-[[4-cyclopropyl-2-(1-oxo-1,4-t…

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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) 0.32 4.87 -51.29 2 5 1 59 330.499 7 ↓
Mid Mid (pH 6-8) 0.32 3.51 -17.41 1 5 0 54 329.491 7 ↓

Analogs

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Popular Name: N-[[4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]propan-2-amine N-[[4-cyclopropyl-2-(1-oxo-1,4-t…

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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) 1.01 6.25 -48.93 2 4 1 50 314.5 5 ↓
Hi High (pH 8-9.5) 1.01 5.06 -16.03 1 4 0 45 313.492 5 ↓

Analogs

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Popular Name: 4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carbaldehyde 4-cyclopropyl-2-(1-oxo-1,4-thiaz…

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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) 0.57 4.71 -20.79 0 4 0 50 270.379 3 ↓

Analogs

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Popular Name: 4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazole-5-carboxylic 4-cyclopropyl-2-(1-oxo-1,4-thiaz…

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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) 0.35 5.51 -64.87 0 5 -1 73 285.37 3 ↓
Lo Low (pH 4.5-6) 0.35 5.83 -54.75 1 5 0 75 286.378 3 ↓

Analogs

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Popular Name: [4-cyclopropyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methanol [4-cyclopropyl-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) 0.12 2.26 -19.68 1 4 0 53 272.395 3 ↓
Lo Low (pH 4.5-6) 0.12 2.59 -39.38 2 4 1 55 273.403 3 ↓

Parameters Provided:

ring.id = 304744
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 = 304744 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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