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

Analogs

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Popular Name: [(1S)-1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-cyclobutyl-methanone [(1S)-1-(3-chlorophenyl)-6,7-dim…

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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) 4.15 11.02 -12.57 0 4 0 39 385.891 4 ↓

Analogs

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Popular Name: [(1R)-1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-cyclobutyl-methanone [(1R)-1-(3-chlorophenyl)-6,7-dim…

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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) 4.15 10.84 -12.4 0 4 0 39 385.891 4 ↓

Analogs

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Popular Name: [(1R)-1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-cyclobutyl-methano [(1R)-1-(2-chloro-6-fluoro-pheny…

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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) 4.25 10.77 -13.44 0 4 0 39 403.881 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-cyclobutyl-methano [(1S)-1-(2-chloro-6-fluoro-pheny…

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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) 4.25 10.85 -12.6 0 4 0 39 403.881 4 ↓

Analogs

32970869
32970869
32970870
32970870
12807155
12807155
12807160
12807160

Draw Identity 99% 90% 80% 70%

Popular Name: cyclobutyl-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone cyclobutyl-[(1S)-6,7-dimethoxy-1…

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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) 3.50 10.5 -13.94 0 4 0 39 351.446 4 ↓

Analogs

32970869
32970869
32970870
32970870
12807155
12807155
12807160
12807160

Draw Identity 99% 90% 80% 70%

Popular Name: cyclobutyl-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone cyclobutyl-[(1R)-6,7-dimethoxy-1…

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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) 3.50 10.27 -12.29 0 4 0 39 351.446 4 ↓

Parameters Provided:

ring.id = 96921
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 = 96921 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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