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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-pyrimidin-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine N-methyl-1-[(3S)-2-pyrimidin-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) 1.92 9.63 -42.37 2 4 1 46 255.345 3 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine N-methyl-1-[(3R)-2-pyrimidin-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) 1.92 9.62 -42.48 2 4 1 46 255.345 3 ↓

Analogs

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Popular Name: 1-[(3S)-2-(4-methoxypyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methyl-methanamine 1-[(3S)-2-(4-methoxypyrimidin-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) 2.32 8.24 -44.12 2 5 1 55 285.371 4 ↓
Lo Low (pH 4.5-6) 2.32 8.71 -95.94 3 5 2 56 286.379 4 ↓

Analogs

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Popular Name: 1-[(3R)-2-(4-methoxypyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methyl-methanamine 1-[(3R)-2-(4-methoxypyrimidin-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) 2.32 8.24 -44.23 2 5 1 55 285.371 4 ↓
Lo Low (pH 4.5-6) 2.32 8.64 -96.27 3 5 2 56 286.379 4 ↓

Analogs

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

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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) 2.80 10.82 -42.35 2 4 1 46 283.399 3 ↓
Lo Low (pH 4.5-6) 2.80 11.2 -89.94 3 4 2 47 284.407 3 ↓

Analogs

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

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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) 2.80 10.8 -42.32 2 4 1 46 283.399 3 ↓
Lo Low (pH 4.5-6) 2.80 11.09 -90.23 3 4 2 47 284.407 3 ↓

Analogs

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

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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) 0.94 7.86 -47.6 3 4 1 57 241.318 2 ↓

Analogs

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

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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) 0.94 7.75 -47.65 3 4 1 57 241.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-2-(4-methoxypyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3R)-2-(4-methoxypyrimidin-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) 1.34 6.38 -49.39 3 5 1 66 271.344 3 ↓
Lo Low (pH 4.5-6) 1.34 7.02 -101.47 4 5 2 67 272.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-2-(4-methoxypyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-(4-methoxypyrimidin-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) 1.34 6.44 -49.56 3 5 1 66 271.344 3 ↓
Lo Low (pH 4.5-6) 1.34 6.94 -101.45 4 5 2 67 272.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-2-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3R)-2-(4,6-dimethylpyrimidin-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) 1.82 8.93 -47.33 3 4 1 57 269.372 2 ↓
Lo Low (pH 4.5-6) 1.82 9.26 -95.21 4 4 2 58 270.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-2-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-(4,6-dimethylpyrimidin-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) 1.82 8.98 -47.57 3 4 1 57 269.372 2 ↓
Lo Low (pH 4.5-6) 1.82 9.2 -95.38 4 4 2 58 270.38 2 ↓

Analogs

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Popular Name: 7-(difluoromethoxy)-2-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline 7-(difluoromethoxy)-2-(4,6-dimet…

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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) 3.61 10.02 -9.8 0 4 0 38 305.328 3 ↓
Lo Low (pH 4.5-6) 3.61 10.32 -31.94 1 4 1 40 306.336 3 ↓

Analogs

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Popular Name: 7-methoxy-2-[4-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline 7-methoxy-2-[4-(trifluoromethyl)…

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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) 3.53 9.55 -8.62 0 4 0 38 309.291 3 ↓

Analogs

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Popular Name: 2-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline 2-(4,6-dimethylpyrimidin-2-yl)-7…

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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) 3.06 9.75 -8.67 0 4 0 38 269.348 2 ↓
Lo Low (pH 4.5-6) 3.06 10.04 -28.77 1 4 1 40 270.356 2 ↓

Analogs

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Popular Name: 2-(5-bromopyrimidin-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline 2-(5-bromopyrimidin-2-yl)-6,7-di…

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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) 2.94 9.04 -8.37 0 5 0 47 350.216 3 ↓

Analogs

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Popular Name: (3R)-2-(4-methoxypyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-(4-methoxypyrimidin-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) 0.32 9.09 -52.75 0 6 -1 78 284.295 3 ↓
Lo Low (pH 4.5-6) 0.32 6.73 -40.97 1 6 0 80 285.303 3 ↓

Analogs

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Popular Name: (3S)-2-(4-methoxypyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-(4-methoxypyrimidin-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) 0.32 6.03 -52.31 0 6 -1 78 284.295 3 ↓
Lo Low (pH 4.5-6) 0.32 6.51 -31.52 1 6 0 80 285.303 3 ↓

Analogs

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Popular Name: 4-amino-2-[(1R)-6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-5-carbonitrile 4-amino-2-[(1R)-6,7-dihydroxy-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) 1.27 4.62 -10.61 4 7 0 119 297.318 1 ↓

Analogs

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Popular Name: 4-amino-2-[(1S)-6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-5-carbonitrile 4-amino-2-[(1S)-6,7-dihydroxy-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) 1.27 4.16 -10.76 4 7 0 119 297.318 1 ↓

Analogs

40404440
40404440
40404443
40404443
13637652
13637652

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Popular Name: 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carbonitrile 4-amino-2-(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) 1.71 8.45 -6.77 2 5 0 79 251.293 1 ↓

Analogs

1495475
1495475

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Popular Name: 2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline 2-pyrimidin-2-yl-3,4-dihydro-1H-…

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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) 2.15 9.26 -6.92 0 3 0 29 211.268 1 ↓

Parameters Provided:

ring.id = 37523
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 37523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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