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Popular Name: N-[(2S)-2-dimethylamino-2-(2-furyl)ethyl]-3-methyl-benzo[g]benzofuran-2-carboxamide N-[(2S)-2-dimethylamino-2-(2-fur…

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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) 4.10 10.24 -44.66 2 5 1 60 363.437 5 ↓
Hi High (pH 8-9.5) 4.10 7.9 -9.94 1 5 0 59 362.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(2-furyl)ethyl]-3-methyl-benzo[g]benzofuran-2-carboxamide N-[(2R)-2-dimethylamino-2-(2-fur…

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) 4.10 10.26 -44.56 2 5 1 60 363.437 5 ↓
Hi High (pH 8-9.5) 4.10 8.01 -9.85 1 5 0 59 362.429 5 ↓

Parameters Provided:

ring.id = 122395
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 = 122395 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=122395&filter.purchasability=annotated

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