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

Analogs

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Popular Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluoro-2-nitro-phenyl)-acetamide 2-(6,7-dimethoxy-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) 2.58 2.34 -55.8 2 8 1 97 390.391 6 ↓

Analogs

14232370
14232370

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Popular Name: (3R)-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (3R)-2-[2-[(2-methoxy-5-methyl-p…

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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 3.49 -15.82 3 6 0 85 353.422 5 ↓

Analogs

14232367
14232367

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Popular Name: (3S)-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (3S)-2-[2-[(2-methoxy-5-methyl-p…

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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 3.49 -16.01 3 6 0 85 353.422 5 ↓

Analogs

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Popular Name: (2R)-N-(3-acetylphenyl)-2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide (2R)-N-(3-acetylphenyl)-2-(7-eth…

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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) 3.15 10.18 -47.91 2 5 1 60 367.469 6 ↓
Mid Mid (pH 6-8) 3.15 7.71 -19.47 1 5 0 59 366.461 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
Mid Mid (pH 6-8) 3.11 6.68 -17.22 1 6 0 68 354.406 6 ↓

Analogs

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Popular Name: N-(2,6-dichlorophenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide N-(2,6-dichlorophenyl)-2-(7-meth…

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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) 4.20 9.62 -44.13 2 4 1 43 366.268 4 ↓
Hi High (pH 8-9.5) 4.01 8.68 -32.67 1 4 0 49 365.26 4 ↓
Mid Mid (pH 6-8) 4.20 7.41 -12.52 1 4 0 42 365.26 4 ↓

Analogs

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Popular Name: (2S)-N-(2-chlorophenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide (2S)-N-(2-chlorophenyl)-2-(7-met…

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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 9.35 -38.99 2 4 1 43 345.85 4 ↓
Mid Mid (pH 6-8) 3.53 7.05 -10.11 1 4 0 42 344.842 4 ↓

Analogs

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Popular Name: (2R)-N-(2-chlorophenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide (2R)-N-(2-chlorophenyl)-2-(7-met…

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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 9.36 -40.65 2 4 1 43 345.85 4 ↓
Mid Mid (pH 6-8) 3.53 6.97 -8.29 1 4 0 42 344.842 4 ↓

Analogs

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Popular Name: (2S)-N-(3-fluorophenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide (2S)-N-(3-fluorophenyl)-2-(7-met…

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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) 3.04 8.78 -44.05 2 4 1 43 329.395 4 ↓
Mid Mid (pH 6-8) 3.04 6.49 -11.57 1 4 0 42 328.387 4 ↓

Analogs

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Popular Name: (2R)-N-(3-fluorophenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide (2R)-N-(3-fluorophenyl)-2-(7-met…

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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) 3.04 8.83 -45.92 2 4 1 43 329.395 4 ↓
Mid Mid (pH 6-8) 3.04 6.41 -9.78 1 4 0 42 328.387 4 ↓

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) 3.67 8.88 -12.66 1 5 0 59 352.434 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) 3.67 8.91 -12.53 1 5 0 59 352.434 6 ↓

Analogs

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Popular Name: 2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenyl-acetamide 2-(5-amino-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) 2.34 6.88 -45.32 4 4 1 60 282.367 3 ↓
Mid Mid (pH 6-8) 2.34 4.65 -11.78 3 4 0 58 281.359 3 ↓

Parameters Provided:

ring.id = 3222
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 = 3222 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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