UCSF
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Analogs

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Popular Name: (3R,8aR)-N-(2-furylmethyl)-8a-methyl-5-oxo-3,8-dihydro-2H-thiazolo[2,3-c][1,4]thiazine-3-carboxamide (3R,8aR)-N-(2-furylmethyl)-8a-me…

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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) 0.61 5.38 -12.76 1 5 0 63 312.416 3 ↓

Analogs

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Popular Name: (3R,8aS)-N-(2-furylmethyl)-8a-methyl-5-oxo-3,8-dihydro-2H-thiazolo[2,3-c][1,4]thiazine-3-carboxamide (3R,8aS)-N-(2-furylmethyl)-8a-me…

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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) 0.61 4.73 -11.69 1 5 0 63 312.416 3 ↓

Analogs

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Popular Name: (3S,8aR)-N-(2-furylmethyl)-8a-methyl-5-oxo-3,8-dihydro-2H-thiazolo[2,3-c][1,4]thiazine-3-carboxamide (3S,8aR)-N-(2-furylmethyl)-8a-me…

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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) 0.61 4.73 -11.16 1 5 0 63 312.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8aS)-N-(2-furylmethyl)-8a-methyl-5-oxo-3,8-dihydro-2H-thiazolo[2,3-c][1,4]thiazine-3-carboxamide (3S,8aS)-N-(2-furylmethyl)-8a-me…

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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) 0.61 5.38 -11.92 1 5 0 63 312.416 3 ↓

Analogs

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Popular Name: (3R,8aR)-N-(6-methoxy-3-pyridyl)-8a-methyl-5-oxo-3,8-dihydro-2H-thiazolo[2,3-c][1,4]thiazine-3-carbo (3R,8aR)-N-(6-methoxy-3-pyridyl)…

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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) 0.98 3.72 -13.91 1 6 0 72 339.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8aS)-N-(6-methoxy-3-pyridyl)-8a-methyl-5-oxo-3,8-dihydro-2H-thiazolo[2,3-c][1,4]thiazine-3-carbo (3R,8aS)-N-(6-methoxy-3-pyridyl)…

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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) 0.98 3.19 -13.2 1 6 0 72 339.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8aR)-N-(6-methoxy-3-pyridyl)-8a-methyl-5-oxo-3,8-dihydro-2H-thiazolo[2,3-c][1,4]thiazine-3-carbo (3S,8aR)-N-(6-methoxy-3-pyridyl)…

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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) 0.98 3.16 -13.21 1 6 0 72 339.442 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8aS)-N-(6-methoxy-3-pyridyl)-8a-methyl-5-oxo-3,8-dihydro-2H-thiazolo[2,3-c][1,4]thiazine-3-carbo (3S,8aS)-N-(6-methoxy-3-pyridyl)…

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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) 0.98 3.75 -13.77 1 6 0 72 339.442 3 ↓

Parameters Provided:

ring.id = 513366
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 = 513366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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