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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

11974880
11974880

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Popular Name: N-[[(2S)-5-fluoro-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-methoxy-acetamide N-[[(2S)-5-fluoro-7-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) 1.10 -1.79 -15.83 1 6 0 73 317.32 5 ↓

Analogs

11974873
11974873

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Popular Name: N-[[(2R)-5-fluoro-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-methoxy-acetamide N-[[(2R)-5-fluoro-7-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) 1.10 -1.74 -15.61 1 6 0 73 317.32 5 ↓

Analogs

11979354
11979354

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Popular Name: (E)-N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pent- (E)-N-[[(2S)-7-(3,6-dimethylpyra…

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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) 2.72 -1.05 -12.97 1 5 0 64 369.44 5 ↓

Analogs

11979350
11979350

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Popular Name: (E)-N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pent- (E)-N-[[(2R)-7-(3,6-dimethylpyra…

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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) 2.72 -1.02 -12.79 1 5 0 64 369.44 5 ↓

Analogs

11995919
11995919

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Popular Name: N-[[(2S)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-methoxy-acetamid N-[[(2S)-7-(3,6-dimethylpyrazin-…

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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) 1.54 -1.93 -15.86 1 6 0 73 345.374 5 ↓

Analogs

11995918
11995918

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Popular Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-methoxy-acetamid N-[[(2R)-7-(3,6-dimethylpyrazin-…

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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) 1.54 -1.88 -15.77 1 6 0 73 345.374 5 ↓

Analogs

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Popular Name: 6-[(2S)-2-(aminomethyl)-5-methyl-2,3-dihydrobenzofuran-7-yl]-N,N-dimethyl-pyrazin-2-amine 6-[(2S)-2-(aminomethyl)-5-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) 1.32 5.13 -50.79 3 5 1 66 285.371 3 ↓
Hi High (pH 8-9.5) 1.32 4.67 -10.35 2 5 0 64 284.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydrobenzofuran-7-yl]-N,N-dimethyl-pyrazin-2-amine 6-[(2R)-2-(aminomethyl)-5-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) 1.32 5.15 -50.5 3 5 1 66 285.371 3 ↓
Hi High (pH 8-9.5) 1.32 4.75 -8.94 2 5 0 64 284.363 3 ↓

Analogs

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Popular Name: [(2S)-7-(3-methylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-7-(3-methylpyrazin-2-yl)-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) 0.92 2.88 -47.24 3 4 1 63 242.302 2 ↓
Hi High (pH 8-9.5) 0.92 2.5 -9.67 2 4 0 61 241.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2R)-7-(3-methylpyrazin-2-yl)-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) 0.92 2.91 -46.77 3 4 1 63 242.302 2 ↓
Hi High (pH 8-9.5) 0.92 2.48 -10.93 2 4 0 61 241.294 2 ↓

Analogs

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Popular Name: 6-[(2S)-2-(aminomethyl)-4-fluoro-2,3-dihydrobenzofuran-7-yl]-N,N-dimethyl-pyrazine-2-carboxamide 6-[(2S)-2-(aminomethyl)-4-fluoro…

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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) 0.49 3.62 -55.85 3 6 1 83 317.344 3 ↓
Hi High (pH 8-9.5) 0.49 3.19 -9.13 2 6 0 81 316.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-2-(aminomethyl)-4-fluoro-2,3-dihydrobenzofuran-7-yl]-N,N-dimethyl-pyrazine-2-carboxamide 6-[(2R)-2-(aminomethyl)-4-fluoro…

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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) 0.49 3.64 -55.61 3 6 1 83 317.344 3 ↓
Hi High (pH 8-9.5) 0.49 3.27 -8.32 2 6 0 81 316.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-5-methyl-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-5-methyl-7-pyrazin-2-yl-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) 1.10 3.42 -47.93 3 4 1 63 242.302 2 ↓
Hi High (pH 8-9.5) 1.10 3 -10.25 2 4 0 61 241.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-5-methyl-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methanamine [(2R)-5-methyl-7-pyrazin-2-yl-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) 1.10 3.46 -47.53 3 4 1 63 242.302 2 ↓
Hi High (pH 8-9.5) 1.10 3.07 -8.9 2 4 0 61 241.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-2-(aminomethyl)-5-fluoro-2,3-dihydrobenzofuran-7-yl]-N,N-dimethyl-pyrazine-2-carboxamide 6-[(2S)-2-(aminomethyl)-5-fluoro…

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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) 0.49 3.61 -57.9 3 6 1 83 317.344 3 ↓
Hi High (pH 8-9.5) 0.49 3.19 -9.36 2 6 0 81 316.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-2-(aminomethyl)-5-fluoro-2,3-dihydrobenzofuran-7-yl]-N,N-dimethyl-pyrazine-2-carboxamide 6-[(2R)-2-(aminomethyl)-5-fluoro…

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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) 0.49 3.65 -57.78 3 6 1 83 317.344 3 ↓
Hi High (pH 8-9.5) 0.49 3.27 -8.36 2 6 0 81 316.336 3 ↓

Parameters Provided:

ring.id = 62565
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 = 62565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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