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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)-3-[[(3R)-3-amino-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3R)-3-amino-2,3-dihydr…

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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) -1.84 2.2 -53.58 3 5 1 72 236.247 2 ↓
Hi High (pH 8-9.5) -1.84 1.9 -12.1 2 5 0 71 235.239 2 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-3-amino-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3R)-3-amino-2,3-dihydr…

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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) -1.84 2.19 -51.97 3 5 1 72 236.247 2 ↓
Hi High (pH 8-9.5) -1.84 1.89 -12.62 2 5 0 71 235.239 2 ↓

Analogs

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Popular Name: (3R)-3-[[(3S)-3-amino-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3S)-3-amino-2,3-dihydr…

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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) -1.84 2.22 -54.73 3 5 1 72 236.247 2 ↓
Hi High (pH 8-9.5) -1.84 1.91 -11.3 2 5 0 71 235.239 2 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-3-amino-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3S)-3-amino-2,3-dihydr…

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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) -1.84 2.21 -56.14 3 5 1 72 236.247 2 ↓
Hi High (pH 8-9.5) -1.84 1.9 -11.47 2 5 0 71 235.239 2 ↓

Analogs

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Popular Name: (3R)-3-[[(3S)-3-(methylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3S)-3-(methylamino)-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) 0.42 3.94 -46.26 2 5 1 61 250.274 3 ↓
Hi High (pH 8-9.5) 0.42 2.69 -11.59 1 5 0 57 249.266 3 ↓

Analogs

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Popular Name: (3R)-3-[[(3R)-3-(methylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3R)-3-(methylamino)-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) 0.42 3.94 -47.7 2 5 1 61 250.274 3 ↓
Hi High (pH 8-9.5) 0.42 2.7 -10.98 1 5 0 57 249.266 3 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-3-(methylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3S)-3-(methylamino)-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) 0.42 3.93 -47.52 2 5 1 61 250.274 3 ↓
Hi High (pH 8-9.5) 0.42 2.68 -11.18 1 5 0 57 249.266 3 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-3-(methylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3R)-3-(methylamino)-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) 0.42 3.94 -46.13 2 5 1 61 250.274 3 ↓
Hi High (pH 8-9.5) 0.42 2.69 -11.5 1 5 0 57 249.266 3 ↓

Analogs

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Popular Name: (3R)-3-[[(3S)-3-(ethylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3S)-3-(ethylamino)-2,3…

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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) 0.79 4.77 -45.1 2 5 1 61 264.301 4 ↓
Hi High (pH 8-9.5) 0.79 3.61 -11.41 1 5 0 57 263.293 4 ↓

Analogs

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Popular Name: (3R)-3-[[(3R)-3-(ethylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3R)-3-(ethylamino)-2,3…

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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) 0.79 4.77 -46.3 2 5 1 61 264.301 4 ↓
Hi High (pH 8-9.5) 0.79 3.63 -10.73 1 5 0 57 263.293 4 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-3-(ethylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3S)-3-(ethylamino)-2,3…

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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) 0.79 4.76 -46.19 2 5 1 61 264.301 4 ↓
Hi High (pH 8-9.5) 0.79 3.6 -10.97 1 5 0 57 263.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(3R)-3-(ethylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3R)-3-(ethylamino)-2,3…

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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) 0.79 4.76 -44.96 2 5 1 61 264.301 4 ↓
Hi High (pH 8-9.5) 0.79 3.62 -11.35 1 5 0 57 263.293 4 ↓

Analogs

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Popular Name: (3R)-3-[[(3S)-3-(propylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3S)-3-(propylamino)-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) 1.29 5.54 -45.71 2 5 1 61 278.328 5 ↓
Hi High (pH 8-9.5) 1.29 4.37 -11.27 1 5 0 57 277.32 5 ↓

Analogs

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Popular Name: (3R)-3-[[(3R)-3-(propylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3R)-3-(propylamino)-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) 1.29 5.54 -46.97 2 5 1 61 278.328 5 ↓
Hi High (pH 8-9.5) 1.29 4.39 -10.62 1 5 0 57 277.32 5 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-3-(propylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3S)-3-(propylamino)-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) 1.29 5.52 -46.84 2 5 1 61 278.328 5 ↓
Hi High (pH 8-9.5) 1.29 4.36 -10.82 1 5 0 57 277.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(3R)-3-(propylamino)-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3R)-3-(propylamino)-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) 1.29 5.52 -45.62 2 5 1 61 278.328 5 ↓
Hi High (pH 8-9.5) 1.29 4.38 -11.19 1 5 0 57 277.32 5 ↓

Analogs

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Popular Name: (3R)-3-[[(3R)-3-hydroxy-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3R)-3-hydroxy-2,3-dihy…

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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) -0.14 1.57 -13.85 1 5 0 65 236.223 2 ↓

Analogs

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Popular Name: (3S)-3-[[(3R)-3-hydroxy-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3R)-3-hydroxy-2,3-dihy…

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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) -0.14 1.56 -14.78 1 5 0 65 236.223 2 ↓

Analogs

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Popular Name: (3R)-3-[[(3S)-3-hydroxy-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3R)-3-[[(3S)-3-hydroxy-2,3-dihy…

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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) -0.14 1.57 -13.58 1 5 0 65 236.223 2 ↓

Analogs

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Popular Name: (3S)-3-[[(3S)-3-hydroxy-2,3-dihydrobenzofuran-6-yl]oxy]tetrahydrofuran-2-one (3S)-3-[[(3S)-3-hydroxy-2,3-dihy…

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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) -0.14 1.56 -13.13 1 5 0 65 236.223 2 ↓

Parameters Provided:

ring.id = 275088
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 = 275088 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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