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Analogs

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Popular Name: (4R)-4-[4-(4-pyridylmethoxy)phenyl]-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4R)-4-[4-(4-pyridylmethoxy)phen…

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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) 2.92 10.41 -45.17 4 7 1 90 371.424 4 ↓
Mid Mid (pH 6-8) 2.79 9.97 -22.45 3 7 0 90 370.416 4 ↓
Mid Mid (pH 6-8) 2.79 10.47 -43.45 4 7 1 92 371.424 4 ↓

Analogs

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Popular Name: (4S)-4-[4-(4-pyridylmethoxy)phenyl]-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-[4-(4-pyridylmethoxy)phen…

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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) 2.92 10.41 -45.16 4 7 1 90 371.424 4 ↓
Mid Mid (pH 6-8) 2.79 9.97 -22.43 3 7 0 90 370.416 4 ↓
Mid Mid (pH 6-8) 2.79 10.47 -43.5 4 7 1 92 371.424 4 ↓

Parameters Provided:

ring.id = 124038
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 = 124038 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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