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

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Popular Name: 5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine 5-[(5-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 3.53 -8.76 2 5 0 78 264.354 4 ↓
Mid Mid (pH 6-8) 2.52 4.01 -34.68 3 5 1 79 265.362 4 ↓

Analogs

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

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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 3.92 -8.76 2 5 0 78 264.354 5 ↓
Mid Mid (pH 6-8) 2.12 4.4 -34.69 3 5 1 79 265.362 5 ↓

Analogs

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Popular Name: 5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)pyridin-2-amine 5-(1,2,4-oxadiazol-3-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) 0.58 0.9 -10.75 2 5 0 78 208.246 3 ↓
Mid Mid (pH 6-8) 0.58 1.36 -37.23 3 5 1 79 209.254 3 ↓

Analogs

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Popular Name: 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine 5-[(5-methyl-1,2,4-oxadiazol-3-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 1.64 -10.11 2 5 0 78 222.273 3 ↓
Mid Mid (pH 6-8) 0.80 2.13 -35.94 3 5 1 79 223.281 3 ↓

Analogs

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Popular Name: 5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine 5-[(5-ethyl-1,2,4-oxadiazol-3-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 -9.37 2 5 0 78 236.3 4 ↓
Mid Mid (pH 6-8) 1.37 2.88 -35.33 3 5 1 79 237.308 4 ↓

Analogs

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Popular Name: 5-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine 5-[(5-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 3.01 -8.93 2 5 0 78 250.327 4 ↓
Mid Mid (pH 6-8) 1.86 3.49 -34.95 3 5 1 79 251.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine 5-[(5-propyl-1,2,4-oxadiazol-3-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 -8.8 2 5 0 78 250.327 5 ↓
Mid Mid (pH 6-8) 1.88 3.65 -34.98 3 5 1 79 251.335 5 ↓

Parameters Provided:

ring.id = 545891
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 = 545891 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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