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

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Popular Name: N-methyl-1-[(3S)-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine N-methyl-1-[(3S)-2-pyrazin-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) 1.62 5.65 -42.71 2 4 1 46 255.345 3 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine N-methyl-1-[(3R)-2-pyrazin-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) 1.62 5.62 -42.8 2 4 1 46 255.345 3 ↓

Analogs

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Popular Name: 1-[(3R)-2-(3,6-dimethylpyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methyl-methanamine 1-[(3R)-2-(3,6-dimethylpyrazin-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) 2.06 7.15 -43.7 2 4 1 46 283.399 3 ↓

Analogs

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Popular Name: 1-[(3S)-2-(3,6-dimethylpyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methyl-methanamine 1-[(3S)-2-(3,6-dimethylpyrazin-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) 2.06 7.31 -43.65 2 4 1 46 283.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3R)-2-pyrazin-2-yl-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) 0.64 3.87 -47.6 3 4 1 57 241.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-2-pyrazin-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-pyrazin-2-yl-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) 0.64 3.86 -47.68 3 4 1 57 241.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-2-(3,6-dimethylpyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3R)-2-(3,6-dimethylpyrazin-2-y…

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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) 1.08 5.32 -49.08 3 4 1 57 269.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-2-(3,6-dimethylpyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-(3,6-dimethylpyrazin-2-y…

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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) 1.08 5.5 -48.78 3 4 1 57 269.372 2 ↓

Analogs

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Popular Name: 2-(6-chloropyrazin-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline 2-(6-chloropyrazin-2-yl)-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) 2.27 6.22 -9.5 0 5 0 47 305.765 3 ↓

Parameters Provided:

ring.id = 85530
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 = 85530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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