UCSF
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Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6E)-6-[(5-cyclohexylsulfanyl-2-…

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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) 2.21 6.78 -14.4 1 6 0 84 360.464 3 ↓

Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin- (6E)-6-[(5-cyclohexylsulfanyl-2-…

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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) 2.49 8.64 -14.44 1 6 0 84 388.518 4 ↓

Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin (6E)-6-[(5-cyclohexylsulfanyl-2-…

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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) 4.06 11 -13.46 1 6 0 84 430.599 7 ↓

Analogs

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Popular Name: (6E)-6-[(5-cyclohexylsulfanyl-2-furyl)methylene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimi (6E)-6-[(5-cyclohexylsulfanyl-2-…

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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) 2.98 9.28 -13.78 1 6 0 84 402.545 4 ↓

Parameters Provided:

ring.id = 68644
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 = 68644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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