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Popular Name: 3-[[3-[(4R)-2-amino-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]phenoxy]methyl]benzonitrile 3-[[3-[(4R)-2-amino-3,4-dihydro-…

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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) 3.92 12.56 -45.34 4 7 1 100 395.446 4 ↓
Mid Mid (pH 6-8) 3.79 12.12 -21.76 3 7 0 101 394.438 4 ↓

Analogs

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Popular Name: 3-[[3-[(4S)-2-amino-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]phenoxy]methyl]benzonitrile 3-[[3-[(4S)-2-amino-3,4-dihydro-…

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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) 3.92 12.57 -46 4 7 1 100 395.446 4 ↓
Mid Mid (pH 6-8) 3.79 12.12 -22.49 3 7 0 101 394.438 4 ↓
Mid Mid (pH 6-8) 3.79 12.63 -43.96 4 7 1 103 395.446 4 ↓

Analogs

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

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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) 4.30 12.32 -42.14 4 6 1 77 388.426 4 ↓
Mid Mid (pH 6-8) 4.17 11.87 -18.83 3 6 0 77 387.418 4 ↓
Mid Mid (pH 6-8) 4.17 12.37 -40.2 4 6 1 79 388.426 4 ↓

Parameters Provided:

ring.id = 124043
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 = 124043 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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