UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(azetidin-3-yl)azepane 1-(azetidin-3-yl)azepane

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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) 1.39 4.41 -108.2 3 2 2 21 156.273 1 ↓
Hi High (pH 8-9.5) 1.39 0.67 -1.21 1 2 0 15 154.257 1 ↓
Mid Mid (pH 6-8) 1.39 2.71 -30.22 2 2 1 16 155.265 1 ↓

Analogs

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Popular Name: (2R)-1-(azetidin-3-yl)-2-methyl-azepane (2R)-1-(azetidin-3-yl)-2-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) 1.72 4.33 -107.94 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.72 2.38 -37.95 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.72 0.71 -0.83 1 2 0 15 168.284 1 ↓

Analogs

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Popular Name: (2S)-1-(azetidin-3-yl)-2-methyl-azepane (2S)-1-(azetidin-3-yl)-2-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) 1.72 4.49 -107.41 3 2 2 21 170.3 1 ↓
Hi High (pH 8-9.5) 1.72 2.52 -37.44 2 2 1 20 169.292 1 ↓
Hi High (pH 8-9.5) 1.72 0.84 -0.72 1 2 0 15 168.284 1 ↓

Parameters Provided:

ring.id = 370846
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 = 370846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=370846&filter.purchasability=annotated

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