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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: (3R)-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-6-[[(3R)-tetrahydrofuran-3-…

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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) -0.18 1.99 -49.49 3 4 1 55 236.291 3 ↓
Hi High (pH 8-9.5) -0.18 1.69 -7.91 2 4 0 54 235.283 3 ↓

Analogs

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Popular Name: (3R)-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-6-[[(3S)-tetrahydrofuran-3-…

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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) -0.18 2 -50.34 3 4 1 55 236.291 3 ↓
Hi High (pH 8-9.5) -0.18 1.7 -8.11 2 4 0 54 235.283 3 ↓

Analogs

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Popular Name: (3S)-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-6-[[(3R)-tetrahydrofuran-3-…

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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) -0.18 2 -52.84 3 4 1 55 236.291 3 ↓
Hi High (pH 8-9.5) -0.18 1.69 -6.59 2 4 0 54 235.283 3 ↓

Analogs

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Popular Name: (3S)-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-6-[[(3S)-tetrahydrofuran-3-…

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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) -0.18 2.01 -53.29 3 4 1 55 236.291 3 ↓
Hi High (pH 8-9.5) -0.18 1.71 -6.79 2 4 0 54 235.283 3 ↓

Analogs

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Popular Name: (3S)-N-methyl-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-methyl-6-[[(3R)-tetrahydr…

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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) 2.07 3.73 -43.96 2 4 1 44 250.318 4 ↓
Hi High (pH 8-9.5) 2.07 2.47 -6.87 1 4 0 40 249.31 4 ↓

Analogs

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Popular Name: (3R)-N-methyl-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-methyl-6-[[(3R)-tetrahydr…

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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) 2.07 3.73 -43.7 2 4 1 44 250.318 4 ↓
Hi High (pH 8-9.5) 2.07 2.49 -6.47 1 4 0 40 249.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-methyl-6-[[(3S)-tetrahydr…

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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) 2.07 3.74 -44.3 2 4 1 44 250.318 4 ↓
Hi High (pH 8-9.5) 2.07 2.49 -7.35 1 4 0 40 249.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-methyl-6-[[(3S)-tetrahydr…

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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) 2.07 3.74 -44.53 2 4 1 44 250.318 4 ↓
Hi High (pH 8-9.5) 2.07 2.5 -6.6 1 4 0 40 249.31 4 ↓

Analogs

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Popular Name: (3S)-N-ethyl-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-ethyl-6-[[(3R)-tetrahydro…

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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) 2.44 4.56 -42.61 2 4 1 44 264.345 5 ↓
Hi High (pH 8-9.5) 2.44 3.39 -6.65 1 4 0 40 263.337 5 ↓

Analogs

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Popular Name: (3R)-N-ethyl-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-ethyl-6-[[(3R)-tetrahydro…

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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) 2.44 4.56 -42.41 2 4 1 44 264.345 5 ↓
Hi High (pH 8-9.5) 2.44 3.41 -6.24 1 4 0 40 263.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-ethyl-6-[[(3S)-tetrahydro…

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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) 2.44 4.57 -43.11 2 4 1 44 264.345 5 ↓
Hi High (pH 8-9.5) 2.44 3.41 -7.08 1 4 0 40 263.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-ethyl-6-[[(3S)-tetrahydro…

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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) 2.44 4.57 -43.27 2 4 1 44 264.345 5 ↓
Hi High (pH 8-9.5) 2.44 3.42 -6.39 1 4 0 40 263.337 5 ↓

Analogs

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Popular Name: (3S)-N-propyl-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-propyl-6-[[(3R)-tetrahydr…

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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) 2.95 5.32 -43.38 2 4 1 44 278.372 6 ↓
Hi High (pH 8-9.5) 2.95 4.16 -6.52 1 4 0 40 277.364 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-propyl-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-propyl-6-[[(3R)-tetrahydr…

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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) 2.95 5.32 -43.13 2 4 1 44 278.372 6 ↓
Hi High (pH 8-9.5) 2.95 4.17 -6.09 1 4 0 40 277.364 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-propyl-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-N-propyl-6-[[(3S)-tetrahydr…

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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) 2.95 5.33 -43.79 2 4 1 44 278.372 6 ↓
Hi High (pH 8-9.5) 2.95 4.17 -6.95 1 4 0 40 277.364 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-propyl-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-N-propyl-6-[[(3S)-tetrahydr…

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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) 2.95 5.33 -43.97 2 4 1 44 278.372 6 ↓
Hi High (pH 8-9.5) 2.95 4.19 -6.28 1 4 0 40 277.364 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-ol (3R)-6-[[(3R)-tetrahydrofuran-3-…

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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) 1.51 1.35 -9.67 1 4 0 48 236.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-ol (3R)-6-[[(3S)-tetrahydrofuran-3-…

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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) 1.51 1.36 -9.75 1 4 0 48 236.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[[(3R)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-ol (3S)-6-[[(3R)-tetrahydrofuran-3-…

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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) 1.51 1.35 -8.39 1 4 0 48 236.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[[(3S)-tetrahydrofuran-3-yl]methoxy]-2,3-dihydrobenzofuran-3-ol (3S)-6-[[(3S)-tetrahydrofuran-3-…

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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) 1.51 1.36 -8.67 1 4 0 48 236.267 3 ↓

Parameters Provided:

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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 = 275004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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