UCSF
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Analogs

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Popular Name: (4R)-5-[(1-isopropylbenzimidazol-2-yl)methyl]-4-(2-pyridyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4R)-5-[(1-isopropylbenzimidazol…

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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) 2.66 9.82 -14.11 1 6 0 63 372.476 4 ↓
Mid Mid (pH 6-8) 2.66 11.9 -36.2 2 6 1 64 373.484 4 ↓
Mid Mid (pH 6-8) 2.66 10.29 -39.38 2 6 1 64 373.484 4 ↓

Analogs

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Popular Name: (4S)-5-[(1-isopropylbenzimidazol-2-yl)methyl]-4-(2-pyridyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4S)-5-[(1-isopropylbenzimidazol…

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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) 2.66 9.77 -13.9 1 6 0 63 372.476 4 ↓
Mid Mid (pH 6-8) 2.66 10.23 -39.33 2 6 1 64 373.484 4 ↓
Mid Mid (pH 6-8) 2.66 11.84 -36.25 2 6 1 64 373.484 4 ↓

Parameters Provided:

ring.id = 583810
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 = 583810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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