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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-[(1R)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-[(2,2-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) 4.13 9.03 -37.65 2 3 1 35 290.427 7 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-[(2,2-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) 4.13 8.91 -37.67 2 3 1 35 290.427 7 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanamine (1R)-1-cyclopropyl-2-[(2,2-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) 2.34 5.63 -39.81 3 3 1 46 248.346 4 ↓
Hi High (pH 8-9.5) 2.34 5.29 -6.43 2 3 0 44 247.338 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanamine (1S)-1-cyclopropyl-2-[(2,2-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) 2.34 5.85 -39.71 3 3 1 46 248.346 4 ↓
Hi High (pH 8-9.5) 2.34 5.47 -7.87 2 3 0 44 247.338 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-[(2,2-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) 3.63 8.28 -37 2 3 1 35 276.4 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-[(2,2-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) 3.63 8.15 -37.01 2 3 1 35 276.4 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(2,2-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) 3.25 7.43 -38.12 2 3 1 35 262.373 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-methyl-ethanamine (1S)-1-cyclopropyl-2-[(2,2-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) 3.25 7.3 -38.17 2 3 1 35 262.373 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-[(2,2-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) 3.11 5.73 -11.14 1 4 0 54 286.375 5 ↓
Lo Low (pH 4.5-6) 3.11 7.35 -52.99 2 4 1 59 287.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-(methylamino)propanenitrile (2R)-2-cyclopropyl-3-[(2,2-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) 3.11 6.46 -12.78 1 4 0 54 286.375 5 ↓
Lo Low (pH 4.5-6) 3.11 7.24 -54.57 2 4 1 59 287.383 5 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]propanenitrile (2S)-2-amino-2-cyclopropyl-3-[(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) 2.73 5.75 -11.69 2 4 0 68 272.348 4 ↓
Lo Low (pH 4.5-6) 2.73 6.01 -48.47 3 4 1 70 273.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]propanenitrile (2R)-2-amino-2-cyclopropyl-3-[(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) 2.73 5.65 -13.39 2 4 0 68 272.348 4 ↓
Lo Low (pH 4.5-6) 2.73 5.99 -48.72 3 4 1 70 273.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanol (1R)-1-cyclopropyl-2-[(2,2-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) 2.83 5.25 -9.54 1 3 0 39 248.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanol (1S)-1-cyclopropyl-2-[(2,2-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) 2.83 5.5 -9.38 1 3 0 39 248.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]propanamide (2S)-2-amino-2-cyclopropyl-3-[(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) 1.68 2.79 -45.21 5 5 1 89 291.371 5 ↓
Mid Mid (pH 6-8) 1.68 2.5 -11.47 4 5 0 88 290.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]propanamide (2R)-2-amino-2-cyclopropyl-3-[(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) 1.68 2.45 -44.78 5 5 1 89 291.371 5 ↓
Mid Mid (pH 6-8) 1.68 2.08 -8.74 4 5 0 88 290.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]propanoic (2S)-2-amino-2-cyclopropyl-3-[(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) 0.21 6.46 -41.83 3 5 0 86 291.347 5 ↓
Hi High (pH 8-9.5) 0.21 6.15 -61.03 2 5 -1 85 290.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]propanoic (2R)-2-amino-2-cyclopropyl-3-[(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) 0.21 6.43 -41.74 3 5 0 86 291.347 5 ↓
Hi High (pH 8-9.5) 0.21 6.22 -59.34 2 5 -1 85 290.339 5 ↓

Parameters Provided:

ring.id = 270781
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 = 270781 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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