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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: (S)-[(3R)-2,3-dihydrobenzofuran-3-yl]-(2-thienyl)methanamine (S)-[(3R)-2,3-dihydrobenzofuran-…

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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) 0.79 5.21 -35.57 3 2 1 37 232.328 2 ↓
Mid Mid (pH 6-8) 0.79 4.88 -3.88 2 2 0 35 231.32 2 ↓

Analogs

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Popular Name: (S)-[(3S)-2,3-dihydrobenzofuran-3-yl]-(2-thienyl)methanamine (S)-[(3S)-2,3-dihydrobenzofuran-…

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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) 0.79 4.72 -51.15 3 2 1 37 232.328 2 ↓
Mid Mid (pH 6-8) 0.79 4.4 -6.02 2 2 0 35 231.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(3R)-2,3-dihydrobenzofuran-3-yl]-(2-thienyl)methanamine (R)-[(3R)-2,3-dihydrobenzofuran-…

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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) 0.79 4.99 -42.27 3 2 1 37 232.328 2 ↓
Mid Mid (pH 6-8) 0.79 4.7 -4.07 2 2 0 35 231.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(3S)-2,3-dihydrobenzofuran-3-yl]-(2-thienyl)methanamine (R)-[(3S)-2,3-dihydrobenzofuran-…

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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) 0.79 5.16 -41.57 3 2 1 37 232.328 2 ↓
Mid Mid (pH 6-8) 0.79 4.88 -4.75 2 2 0 35 231.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(3S)-2,3-dihydrobenzofuran-3-yl]-(2-thienyl)methanol (S)-[(3S)-2,3-dihydrobenzofuran-…

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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) 2.49 4.87 -5.4 1 2 0 29 232.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(3R)-2,3-dihydrobenzofuran-3-yl]-(2-thienyl)methanol (S)-[(3R)-2,3-dihydrobenzofuran-…

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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) 2.49 4.69 -5.09 1 2 0 29 232.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(3S)-2,3-dihydrobenzofuran-3-yl]-(2-thienyl)methanol (R)-[(3S)-2,3-dihydrobenzofuran-…

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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) 2.49 4.45 -5.37 1 2 0 29 232.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(3R)-2,3-dihydrobenzofuran-3-yl]-(2-thienyl)methanol (R)-[(3R)-2,3-dihydrobenzofuran-…

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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) 2.49 4.76 -5.53 1 2 0 29 232.304 2 ↓

Analogs

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Popular Name: (3S)-3-[(S)-chloro(2-thienyl)methyl]-2,3-dihydrobenzofuran (3S)-3-[(S)-chloro(2-thienyl)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) 3.86 8.07 -5.88 0 1 0 9 250.75 2 ↓

Analogs

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Popular Name: (3R)-3-[(S)-chloro(2-thienyl)methyl]-2,3-dihydrobenzofuran (3R)-3-[(S)-chloro(2-thienyl)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) 3.86 8.14 -4.58 0 1 0 9 250.75 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(R)-chloro(2-thienyl)methyl]-2,3-dihydrobenzofuran (3S)-3-[(R)-chloro(2-thienyl)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) 3.86 7.71 -5.98 0 1 0 9 250.75 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(R)-chloro(2-thienyl)methyl]-2,3-dihydrobenzofuran (3R)-3-[(R)-chloro(2-thienyl)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) 3.86 8.15 -5.53 0 1 0 9 250.75 2 ↓

Analogs

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Popular Name: (3S)-3-[(S)-bromo(2-thienyl)methyl]-2,3-dihydrobenzofuran (3S)-3-[(S)-bromo(2-thienyl)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) 4.00 8.18 -5.38 0 1 0 9 295.201 2 ↓

Analogs

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Popular Name: (3R)-3-[(S)-bromo(2-thienyl)methyl]-2,3-dihydrobenzofuran (3R)-3-[(S)-bromo(2-thienyl)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) 4.00 8.21 -4.36 0 1 0 9 295.201 2 ↓

Analogs

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Popular Name: (3S)-3-[(R)-bromo(2-thienyl)methyl]-2,3-dihydrobenzofuran (3S)-3-[(R)-bromo(2-thienyl)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) 4.00 7.83 -5.47 0 1 0 9 295.201 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(R)-bromo(2-thienyl)methyl]-2,3-dihydrobenzofuran (3R)-3-[(R)-bromo(2-thienyl)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) 4.00 8.24 -5.19 0 1 0 9 295.201 2 ↓

Parameters Provided:

ring.id = 495811
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 = 495811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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