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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: 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-8-ylmethylamino)benzonitrile 2-chloro-5-(2,3-dihydro-1,4-benz…

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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) 3.24 7.08 -9.04 1 4 0 54 300.745 3 ↓

Analogs

29135594
29135594

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-propyl-aniline N-(2,3-dihydro-1,4-benzodioxin-5…

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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 8.6 -5.6 1 3 0 30 283.371 5 ↓

Analogs

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Popular Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-8-ylmethyl)-3-fluoro-aniline 4-chloro-N-(2,3-dihydro-1,4-benz…

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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) 3.65 6.84 -6.93 1 3 0 30 293.725 3 ↓

Analogs

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Popular Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-8-ylmethylamino)phenyl]acetonitrile 2-[4-(2,3-dihydro-1,4-benzodioxi…

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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) 2.84 7.46 -11.26 1 4 0 54 280.327 4 ↓

Analogs

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Popular Name: 3-bromo-4-(2,3-dihydro-1,4-benzodioxin-8-ylmethylamino)benzonitrile 3-bromo-4-(2,3-dihydro-1,4-benzo…

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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) 3.37 7.4 -8.76 1 4 0 54 345.196 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methyl-aniline 5-bromo-N-(2,3-dihydro-1,4-benzo…

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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) 4.06 7.69 -5.82 1 3 0 30 334.213 3 ↓

Analogs

624183
624183

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Popular Name: 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-8-ylmethyl)-4-iodo-aniline 2-chloro-N-(2,3-dihydro-1,4-benz…

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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) 4.56 7.96 -5.66 1 3 0 30 401.631 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-8-ylmethylamino)-3-nitro-benzenesulfonamide 4-(2,3-dihydro-1,4-benzodioxin-8…

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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) 1.46 2.19 -17.21 3 9 0 136 365.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-8-ylmethylamino)-2-fluoro-phenol 4-(2,3-dihydro-1,4-benzodioxin-8…

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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) 2.75 3.48 -8.45 2 4 0 51 275.279 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)phenyl]ethanol (1S)-1-[2-(2,3-dihydro-1,4-benzo…

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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) 2.39 4.62 -7.53 2 4 0 51 285.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)phenyl]ethanol (1R)-1-[2-(2,3-dihydro-1,4-benzo…

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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) 2.39 4.62 -7.74 2 4 0 51 285.343 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 126934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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