UCSF
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Analogs

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Popular Name: 1-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopropanamine 1-[(1S,2S,4R)-7-oxabicyclo[2.2.1…

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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) 1.02 2.38 -35.89 3 2 1 37 154.233 1 ↓
Hi High (pH 8-9.5) 1.02 1.92 -3.03 2 2 0 35 153.225 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopropanamine 1-[(1S,2R,4R)-7-oxabicyclo[2.2.1…

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) 1.02 1.68 -42.41 3 2 1 37 154.233 1 ↓
Hi High (pH 8-9.5) 1.02 2.08 -2.48 2 2 0 35 153.225 1 ↓

Parameters Provided:

ring.id = 509402
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 = 509402 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=509402&filter.purchasability=annotated

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