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Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[3-(trifluoromethyl)phe 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 2.40 8.68 -18.76 1 6 0 70 449.454 5 ↓

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[3-(trifluoromethyl)phe 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 2.40 8.72 -23.51 1 6 0 70 449.454 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.05 9.23 -28.36 1 8 0 96 453.52 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.05 9.27 -28.6 1 8 0 96 453.52 7 ↓

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2,4-dimethylphenyl)ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 2.35 9.12 -17.56 1 6 0 70 409.511 4 ↓

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2,4-dimethylphenyl)ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 2.35 9.19 -20.49 1 6 0 70 409.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(3,4-dimethylphenyl)ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 2.35 9.01 -18.05 1 6 0 70 409.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(3,4-dimethylphenyl)ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 2.35 9.06 -20.49 1 6 0 70 409.511 4 ↓

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2,4,6-trimethylphenyl) 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.79 9.77 -19.97 1 6 0 70 423.538 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2,4,6-trimethylphenyl) 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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) 1.79 9.78 -19.73 1 6 0 70 423.538 4 ↓

Parameters Provided:

ring.id = 85412
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 = 85412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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