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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,2,4-oxadiazol-5-ylmethylsulfanyl)pyridin-2-amine 5-(1,2,4-oxadiazol-5-ylmethylsul…

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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 1.91 -9.08 2 5 0 78 208.246 3 ↓
Lo Low (pH 4.5-6) 0.71 2.37 -38.78 3 5 1 79 209.254 3 ↓

Analogs

43403368
43403368

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Popular Name: 5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine 5-[(3-tert-butyl-1,2,4-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) 2.52 3.4 -8.83 2 5 0 78 264.354 4 ↓
Lo Low (pH 4.5-6) 2.52 3.88 -36.98 3 5 1 79 265.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine 5-[(3-propyl-1,2,4-oxadiazol-5-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) 1.88 3.17 -8.72 2 5 0 78 250.327 5 ↓
Lo Low (pH 4.5-6) 1.88 3.65 -37.06 3 5 1 79 251.335 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine 5-[(3-butyl-1,2,4-oxadiazol-5-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) 2.44 3.95 -8.66 2 5 0 78 264.354 6 ↓
Lo Low (pH 4.5-6) 2.44 4.43 -37.04 3 5 1 79 265.362 6 ↓

Analogs

43403368
43403368

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine 5-[(3-isopropyl-1,2,4-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) 1.86 2.85 -8.92 2 5 0 78 250.327 4 ↓
Lo Low (pH 4.5-6) 1.86 3.33 -37.11 3 5 1 79 251.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.12 3.63 -8.67 2 5 0 78 264.354 5 ↓
Lo Low (pH 4.5-6) 2.12 4.11 -36.83 3 5 1 79 265.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine 5-[(3-ethyl-1,2,4-oxadiazol-5-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) 1.37 2.4 -9.03 2 5 0 78 236.3 4 ↓
Lo Low (pH 4.5-6) 1.37 2.88 -37.26 3 5 1 79 237.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-2-amine 5-[(3-methyl-1,2,4-oxadiazol-5-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) 0.80 1.78 -9.33 2 5 0 78 222.273 3 ↓
Lo Low (pH 4.5-6) 0.80 2.26 -37.56 3 5 1 79 223.281 3 ↓

Parameters Provided:

ring.id = 545903
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 = 545903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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