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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: (1S)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopentyl-ethanamine (1S)-N-[(7-bromo-1,3-benzodioxol…

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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) 4.24 7.61 -46.83 2 3 1 35 327.242 4 ↓

Analogs

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Popular Name: (1R)-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopentyl-ethanamine (1R)-N-[(7-bromo-1,3-benzodioxol…

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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) 4.24 7.58 -46.94 2 3 1 35 327.242 4 ↓

Analogs

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Popular Name: (1S)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopentyl-ethanamine (1S)-N-[(6-bromo-1,3-benzodioxol…

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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) 4.24 7.6 -38.08 2 3 1 35 327.242 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopentyl-ethanamine (1R)-N-[(6-bromo-1,3-benzodioxol…

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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) 4.24 7.55 -38.92 2 3 1 35 327.242 4 ↓

Analogs

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Popular Name: 6-[[[(1S)-1-cyclopentylethyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1S)-1-cyclopentylethyl]ami…

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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) 3.42 4.39 -44.85 3 4 1 55 264.345 4 ↓
Hi High (pH 8-9.5) 3.42 5.04 -31.96 2 4 0 58 263.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[[(1R)-1-cyclopentylethyl]amino]methyl]-1,3-benzodioxol-5-ol 6-[[[(1R)-1-cyclopentylethyl]ami…

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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) 3.42 4.34 -45.08 3 4 1 55 264.345 4 ↓
Hi High (pH 8-9.5) 3.42 5 -32.07 2 4 0 58 263.337 4 ↓

Analogs

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Popular Name: (1S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyclopentyl-ethanamine (1S)-N-[(7-chloro-1,3-benzodioxo…

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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) 4.11 7.51 -47.06 2 3 1 35 282.791 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-cyclopentyl-ethanamine (1R)-N-[(7-chloro-1,3-benzodioxo…

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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) 4.11 7.48 -47.2 2 3 1 35 282.791 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-(cyclopentylmethyl)methanamine 1-(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) 3.91 7.2 -49.98 2 3 1 35 313.215 4 ↓

Parameters Provided:

ring.id = 533396
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 = 533396 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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