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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-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) 3.39 6.45 -48.53 1 6 1 62 318.397 5 ↓

Analogs

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Popular Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-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) 3.39 6.28 -49 1 6 1 62 318.397 5 ↓

Analogs

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Popular Name: (1R)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-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) 2.75 6.02 -48.46 1 6 1 62 304.37 6 ↓
Hi High (pH 8-9.5) 2.75 3.72 -10.86 0 6 0 61 303.362 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-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) 2.75 6 -44.52 1 6 1 62 304.37 6 ↓
Hi High (pH 8-9.5) 2.75 3.6 -10.79 0 6 0 61 303.362 6 ↓

Analogs

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Popular Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanami N-[(6-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) 2.06 4.2 -45.2 1 7 1 71 340.787 7 ↓
Mid Mid (pH 6-8) 2.06 2.1 -11.19 0 7 0 70 339.779 7 ↓

Parameters Provided:

ring.id = 141666
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 = 141666 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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