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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: (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylthiazol-4-yl)ethanamine (1R)-N-(1,3-benzodioxol-5-ylmeth…

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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) 2.45 6.02 -44.2 2 4 1 48 291.396 4 ↓

Analogs

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Popular Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylthiazol-4-yl)ethanamine (1S)-N-(1,3-benzodioxol-5-ylmeth…

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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) 2.45 6.01 -44.31 2 4 1 48 291.396 4 ↓

Analogs

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Popular Name: 1-(6-bromo-1,3-benzodioxol-5-yl)-N-methyl-N-(thiazol-4-ylmethyl)methanamine 1-(6-bromo-1,3-benzodioxol-5-yl)…

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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) 2.94 4.4 -6.49 0 4 0 35 341.23 4 ↓
Mid Mid (pH 6-8) 2.94 6.68 -36.77 1 4 1 36 342.238 4 ↓

Analogs

42863683
42863683
42863686
42863686

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Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-methylthiazol-4-yl)methanamine N-[(7-bromo-1,3-benzodioxol-5-yl…

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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) 2.41 5.29 -49.6 2 4 1 48 342.238 4 ↓
Hi High (pH 8-9.5) 2.41 3.93 -8.98 1 4 0 43 341.23 4 ↓

Analogs

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Popular Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-methylthiazol-4-yl)methanamine N-[(6-bromo-1,3-benzodioxol-5-yl…

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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) 2.41 5.27 -40.38 2 4 1 48 342.238 4 ↓
Hi High (pH 8-9.5) 2.41 3.89 -7.59 1 4 0 43 341.23 4 ↓

Analogs

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Popular Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(2-methylthiazol-4-yl)methanamine N-[(7-chloro-1,3-benzodioxol-5-y…

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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) 2.28 5.19 -49.84 2 4 1 48 297.787 4 ↓
Hi High (pH 8-9.5) 2.28 3.83 -9.05 1 4 0 43 296.779 4 ↓

Analogs

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Popular Name: 6-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[methyl-[(2-methylthiazol-4-y…

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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) 1.83 4.19 -42.41 2 5 1 56 293.368 4 ↓
Hi High (pH 8-9.5) 1.83 4.85 -30.57 1 5 0 59 292.36 4 ↓

Parameters Provided:

ring.id = 24294
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 = 24294 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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