UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16428855
16428855
34972634
34972634
34976593
34976593
34976596
34976596
34977158
34977158

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Popular Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N-isopentyl-benzenesulfonamide N-[2-(3,4-dihydro-1H-isoquinolin…

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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) 3.65 10.1 -18.31 0 5 0 58 400.544 7 ↓

Analogs

25101374
25101374
34696718
34696718
34932816
34932816
35004903
35004903
36650452
36650452

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Popular Name: N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-N,4-dimethyl-benzenesulfonamide N-[2-(6,7-dimethoxy-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) 2.06 7.13 -17.07 0 7 0 76 418.515 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-propyl]-4-methoxy-benzenesulfonamide N-[(1R)-1-(3,4-dihydro-1H-isoqui…

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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) 2.91 6.39 -15.58 1 6 0 76 402.516 6 ↓

Analogs

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Popular Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(trifluoromethyl)benzenesulfonamide N-[2-(3,4-dihydro-1H-isoquinolin…

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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) 2.62 6.27 -16.74 1 5 0 66 398.406 5 ↓

Parameters Provided:

ring.id = 223686
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 = 223686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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