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Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)pyridine hydrochloride 2-(azetidin-3-ylsulfanyl)pyridin…

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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) 1.27 3.37 -38.41 2 2 1 29 167.257 2 ↓
Hi High (pH 8-9.5) 1.27 1.68 -4.58 1 2 0 25 166.249 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-5-(trifluoromethyl)pyridine 2-(azetidin-3-ylsulfanyl)-5-(tri…

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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) 2.17 4.32 -41.08 2 2 1 29 235.254 3 ↓
Hi High (pH 8-9.5) 2.17 2.63 -3.59 1 2 0 25 234.246 3 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine 2-(azetidin-3-ylsulfanyl)-3-chlo…

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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) 2.77 4.78 -41.64 2 2 1 29 269.699 3 ↓
Hi High (pH 8-9.5) 2.77 3.09 -2.8 1 2 0 25 268.691 3 ↓

Analogs

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Popular Name: 6-(azetidin-3-ylsulfanyl)pyridin-3-amine 6-(azetidin-3-ylsulfanyl)pyridin…

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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) 0.92 1.24 -38.25 4 3 1 56 182.272 2 ↓
Hi High (pH 8-9.5) 0.92 -0.45 -5.24 3 3 0 51 181.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(azetidin-3-ylsulfanyl)pyridin-3-amine 2-(azetidin-3-ylsulfanyl)pyridin…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.70 1.31 -38.75 4 3 1 56 182.272 2 ↓
Hi High (pH 8-9.5) 0.70 -0.38 -5.21 3 3 0 51 181.264 2 ↓

Parameters Provided:

ring.id = 371171
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 = 371171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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