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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: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiazol-5-ylmethyl)methanamine 1-(2,3-dihydro-1,4-benzodioxin-6…

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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) 1.57 4.71 -50.74 2 4 1 48 263.342 4 ↓
Mid Mid (pH 6-8) 1.57 3.35 -9.03 1 4 0 43 262.334 4 ↓

Analogs

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Popular Name: (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiazol-5-ylmethyl)ethanamine (1S)-1-(2,3-dihydro-1,4-benzodio…

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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) 2.13 5.34 -47.66 2 4 1 48 277.369 4 ↓
Mid Mid (pH 6-8) 2.13 4.22 -7.62 1 4 0 43 276.361 4 ↓

Analogs

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Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiazol-5-ylmethyl)ethanamine (1R)-1-(2,3-dihydro-1,4-benzodio…

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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) 2.13 5.32 -47.82 2 4 1 48 277.369 4 ↓
Mid Mid (pH 6-8) 2.13 4.21 -8.72 1 4 0 43 276.361 4 ↓

Analogs

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Popular Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]-N,N-dimethyl-thiazol-2-amine 5-[(2,3-dihydro-1,4-benzodioxin-…

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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) 1.80 6.44 -49.34 2 5 1 51 306.411 5 ↓
Mid Mid (pH 6-8) 1.80 5.01 -10.53 1 5 0 47 305.403 5 ↓

Analogs

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Popular Name: (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,4-dimethylthiazol-5-yl)ethanamine (1R)-N-(2,3-dihydro-1,4-benzodio…

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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 6.45 -47.69 2 4 1 48 305.423 4 ↓
Hi High (pH 8-9.5) 2.07 5.25 -9.9 1 4 0 43 304.415 4 ↓

Analogs

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Popular Name: (1S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2,4-dimethylthiazol-5-yl)ethanamine (1S)-N-(2,3-dihydro-1,4-benzodio…

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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 6.47 -47.53 2 4 1 48 305.423 4 ↓
Hi High (pH 8-9.5) 2.07 5.24 -8.77 1 4 0 43 304.415 4 ↓

Analogs

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Popular Name: (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylthiazol-5-yl)ethanamine (1R)-N-(2,3-dihydro-1,4-benzodio…

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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) 2.35 5.71 -47.99 2 4 1 48 291.396 4 ↓
Hi High (pH 8-9.5) 2.35 4.51 -9.46 1 4 0 43 290.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylthiazol-5-yl)ethanamine (1S)-N-(2,3-dihydro-1,4-benzodio…

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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) 2.35 5.73 -47.81 2 4 1 48 291.396 4 ↓
Hi High (pH 8-9.5) 2.35 4.5 -8.44 1 4 0 43 290.388 4 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylthiazol-5-yl)ethanamine (1R)-N-[(1S)-1-(2,3-dihydro-1,4-…

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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) 2.91 6.35 -44.93 2 4 1 48 305.423 4 ↓
Hi High (pH 8-9.5) 2.91 5.41 -9.69 1 4 0 43 304.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylthiazol-5-yl)ethanamine (1S)-N-[(1S)-1-(2,3-dihydro-1,4-…

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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) 2.91 6.33 -44.39 2 4 1 48 305.423 4 ↓
Hi High (pH 8-9.5) 2.91 5.37 -8.18 1 4 0 43 304.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylthiazol-5-yl)ethanamine (1R)-N-[(1R)-1-(2,3-dihydro-1,4-…

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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) 2.91 6.3 -44.55 2 4 1 48 305.423 4 ↓
Hi High (pH 8-9.5) 2.91 5.37 -8 1 4 0 43 304.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylthiazol-5-yl)ethanamine (1S)-N-[(1R)-1-(2,3-dihydro-1,4-…

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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) 2.91 6.37 -44.67 2 4 1 48 305.423 4 ↓
Hi High (pH 8-9.5) 2.91 5.44 -7.79 1 4 0 43 304.415 4 ↓

Parameters Provided:

ring.id = 153573
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 = 153573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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