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Analogs

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Popular Name: N-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-ethyl-acetamide N-cyclopropyl-2-(5,6-dihydro-4H-…

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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) 2.15 8.33 -44.99 2 3 1 37 279.429 6 ↓
Mid Mid (pH 6-8) 2.15 6.87 -10.08 1 3 0 32 278.421 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methyl-acetamide N-cyclopropyl-2-(5,6-dihydro-4H-…

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) 1.77 7.5 -45.69 2 3 1 37 265.402 5 ↓
Mid Mid (pH 6-8) 1.77 6.14 -10.59 1 3 0 32 264.394 5 ↓

Parameters Provided:

ring.id = 548354
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 = 548354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=548354&filter.purchasability=annotated

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