UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)tetrahydrothiopyran-3-yl]methanamine [(3S)-3-(3,5-dihydro-2H-1,4-benz…

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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) 1.40 4.45 -44.25 3 3 1 40 279.429 2 ↓
Hi High (pH 8-9.5) 1.40 4.1 -3.76 2 3 0 38 278.421 2 ↓

Analogs

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Popular Name: [(3R)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)tetrahydrothiopyran-3-yl]methanamine [(3R)-3-(3,5-dihydro-2H-1,4-benz…

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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) 1.40 4.34 -45.55 3 3 1 40 279.429 2 ↓
Hi High (pH 8-9.5) 1.40 3.98 -3.58 2 3 0 38 278.421 2 ↓

Parameters Provided:

ring.id = 333251
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 = 333251 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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