UCSF
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Analogs

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Popular Name: 6-amino-N-(5-isoquinolyl)pyridine-3-sulfonamide 6-amino-N-(5-isoquinolyl)pyridin…

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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) 1.52 1.96 -44.69 2 6 -1 100 299.335 3 ↓
Mid Mid (pH 6-8) 1.52 2.91 -60.35 4 6 1 103 301.351 3 ↓
Mid Mid (pH 6-8) 1.52 2.45 -43.89 3 6 0 101 300.343 3 ↓

Analogs

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Popular Name: 2-amino-N-(5-isoquinolyl)pyridine-3-sulfonamide 2-amino-N-(5-isoquinolyl)pyridin…

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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) 1.30 2.37 -42.93 2 6 -1 100 299.335 3 ↓
Mid Mid (pH 6-8) 1.30 3.31 -61.81 4 6 1 103 301.351 3 ↓
Mid Mid (pH 6-8) 1.30 2.84 -44.21 3 6 0 101 300.343 3 ↓

Parameters Provided:

ring.id = 14140
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 = 14140 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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