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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-isoquinolyl)benzonitrile 3-(5-isoquinolyl)benzonitrile

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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) 3.53 8.78 -8.41 0 2 0 37 230.27 1 ↓
Lo Low (pH 4.5-6) 3.53 9.24 -40.26 1 2 1 38 231.278 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-ethoxy-5-(5-isoquinolyl)phenyl]-N-methyl-methanamine 1-[2-ethoxy-5-(5-isoquinolyl)phe…

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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) 3.72 8.57 -40.23 2 3 1 39 293.39 5 ↓
Hi High (pH 8-9.5) 3.72 7.12 -6.6 1 3 0 34 292.382 5 ↓
Lo Low (pH 4.5-6) 3.72 9.04 -79.65 3 3 2 40 294.398 5 ↓

Parameters Provided:

ring.id = 401633
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 = 401633 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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