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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-(azetidin-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine sesquioxalate 5-(azetidin-3-yl)-4,5,6,7-tetrah…

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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) 1.24 3 -41.23 2 2 1 20 195.311 1 ↓
Mid Mid (pH 6-8) 1.24 1.33 -2.8 1 2 0 15 194.303 1 ↓
Lo Low (pH 4.5-6) 1.24 5.12 -119.27 3 2 2 21 196.319 1 ↓

Analogs

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Popular Name: (4R)-5-(azetidin-3-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-5-(azetidin-3-yl)-4-methyl-…

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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) 1.80 3.21 -42.74 2 2 1 20 209.338 1 ↓
Mid Mid (pH 6-8) 1.80 1.54 -2.94 1 2 0 15 208.33 1 ↓
Lo Low (pH 4.5-6) 1.80 5.25 -118.42 3 2 2 21 210.346 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-(azetidin-3-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-(azetidin-3-yl)-4-methyl-…

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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) 1.80 3.26 -41.91 2 2 1 20 209.338 1 ↓
Mid Mid (pH 6-8) 1.80 1.58 -2.85 1 2 0 15 208.33 1 ↓
Lo Low (pH 4.5-6) 1.80 5.3 -117.54 3 2 2 21 210.346 1 ↓

Parameters Provided:

ring.id = 370960
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 = 370960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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