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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

25919062
25919062
25919066
25919066

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Popular Name: (1R)-6,7-dimethoxy-2-(2-methoxyethyl)-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline (1R)-6,7-dimethoxy-2-(2-methoxye…

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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) 3.02 6.15 -8.7 0 4 0 31 333.453 6 ↓
Mid Mid (pH 6-8) 3.02 8.39 -38.67 1 4 1 32 334.461 6 ↓

Analogs

25919062
25919062
25919066
25919066

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6,7-dimethoxy-2-(2-methoxyethyl)-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline (1S)-6,7-dimethoxy-2-(2-methoxye…

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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) 3.02 6.55 -7.12 0 4 0 31 333.453 6 ↓
Mid Mid (pH 6-8) 3.02 8.73 -34.91 1 4 1 32 334.461 6 ↓

Analogs

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Popular Name: (1R)-6,7-dimethoxy-N-methyl-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (1R)-6,7-dimethoxy-N-methyl-1-(2…

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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) 3.24 6.62 -12.93 1 5 0 51 332.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6,7-dimethoxy-N-methyl-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (1S)-6,7-dimethoxy-N-methyl-1-(2…

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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) 3.24 6.43 -13.48 1 5 0 51 332.425 3 ↓

Analogs

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Popular Name: 5-[(1R)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile 5-[(1R)-6,7-dimethoxy-1-(2-thien…

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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 9.11 -13.38 0 4 0 45 356.491 7 ↓
Mid Mid (pH 6-8) 3.27 11.29 -52.37 1 4 1 47 357.499 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile 5-[(1S)-6,7-dimethoxy-1-(2-thien…

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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 9.11 -13.38 0 4 0 45 356.491 7 ↓
Mid Mid (pH 6-8) 3.27 11.29 -52.36 1 4 1 47 357.499 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.90 7.26 -10.45 0 5 0 48 347.436 6 ↓
Lo Low (pH 4.5-6) 2.90 9.33 -40.1 1 5 1 49 348.444 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.90 7.25 -10.44 0 5 0 48 347.436 6 ↓
Lo Low (pH 4.5-6) 2.90 9.33 -40.03 1 5 1 49 348.444 6 ↓

Parameters Provided:

ring.id = 16995
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 = 16995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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