UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44442800
44442800
6756283
6756283
6756278
6756278
13860725
13860725

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Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-fluorophenoxy)-3-pyridyl]methanone 3,4-dihydro-1H-isoquinolin-2-yl-…

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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) 3.27 9.41 -14 0 4 0 42 348.377 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,4-dimethylphenoxy)-3-pyridyl]methanone 3,4-dihydro-1H-isoquinolin-2-yl-…

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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) 3.93 10.55 -15.42 0 4 0 42 358.441 3 ↓

Analogs

44442800
44442800

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-methylphenoxy)-3-pyridyl]methanone 3,4-dihydro-1H-isoquinolin-2-yl-…

Find On: PubMed — Wikipedia — Google

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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) 3.55 10.01 -15.77 0 4 0 42 344.414 3 ↓

Parameters Provided:

ring.id = 602560
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 = 602560 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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