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Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-5-methyl-1H-benzimidazole 2-(azetidin-3-ylsulfanyl)-5-meth…

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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) 2.41 4.53 -43.2 3 3 1 45 220.321 2 ↓
Hi High (pH 8-9.5) 2.41 2.84 -7.01 2 3 0 41 219.313 2 ↓
Lo Low (pH 4.5-6) 2.41 4.92 -92.84 4 3 2 47 221.329 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-1H-1,3-benzodiazole hydrochloride 2-(azetidin-3-ylsulfanyl)-1H-1,3…

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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) 1.98 3.86 -43.27 3 3 1 45 206.294 2 ↓
Hi High (pH 8-9.5) 1.98 2.17 -7.26 2 3 0 41 205.286 2 ↓
Lo Low (pH 4.5-6) 1.98 4.27 -92.19 4 3 2 47 207.302 2 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-6-methoxy-1H-benzimidazole 2-(azetidin-3-ylsulfanyl)-6-meth…

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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) 2.01 3.15 -44.64 3 4 1 55 236.32 3 ↓
Hi High (pH 8-9.5) 2.01 1.46 -7.24 2 4 0 50 235.312 3 ↓
Lo Low (pH 4.5-6) 2.01 3.55 -95.5 4 4 2 56 237.328 3 ↓

Analogs

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Popular Name: 2-(azetidin-3-ylsulfanyl)-6-ethoxy-1H-benzimidazole 2-(azetidin-3-ylsulfanyl)-6-etho…

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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) 2.39 4.08 -44.5 3 4 1 55 250.347 4 ↓
Hi High (pH 8-9.5) 2.39 2.39 -7 2 4 0 50 249.339 4 ↓
Lo Low (pH 4.5-6) 2.39 4.47 -95.68 4 4 2 56 251.355 4 ↓

Parameters Provided:

ring.id = 216427
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 = 216427 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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