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Analogs

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Popular Name: 5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine 5-[(5-tert-butyl-1,3,4-oxadiazol…

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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) 1.48 1.17 -9.68 2 5 0 78 264.354 4 ↓
Lo Low (pH 4.5-6) 1.48 1.65 -36.89 3 5 1 79 265.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine 5-[(5-methyl-1,3,4-oxadiazol-2-y…

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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) -0.24 -0.73 -10.68 2 5 0 78 222.273 3 ↓
Lo Low (pH 4.5-6) -0.24 -0.25 -37.96 3 5 1 79 223.281 3 ↓

Analogs

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Popular Name: 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine 5-[(5-ethyl-1,3,4-oxadiazol-2-yl…

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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) 0.33 0.03 -10.04 2 5 0 78 236.3 4 ↓
Lo Low (pH 4.5-6) 0.33 0.51 -37.48 3 5 1 79 237.308 4 ↓

Parameters Provided:

ring.id = 545777
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 = 545777 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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