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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: (1S)-N-[(1S)-1-cyclopentylethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine (1S)-N-[(1S)-1-cyclopentylethyl]…

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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) 3.95 8.9 -41.8 2 3 1 35 290.427 4 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-cyclopentylethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine (1R)-N-[(1S)-1-cyclopentylethyl]…

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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) 3.95 8.72 -42.79 2 3 1 35 290.427 4 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-cyclopentylethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine (1S)-N-[(1R)-1-cyclopentylethyl]…

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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) 3.95 8.82 -41.93 2 3 1 35 290.427 4 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-cyclopentylethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine (1R)-N-[(1R)-1-cyclopentylethyl]…

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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) 3.95 8.85 -42.63 2 3 1 35 290.427 4 ↓

Analogs

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Popular Name: (1S)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-cyclopentyl-ethanamine (1S)-N-[(6-chloro-3,4-dihydro-2H…

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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) 4.19 8.82 -45.9 2 3 1 35 310.845 4 ↓

Analogs

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Popular Name: (1R)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-cyclopentyl-ethanamine (1R)-N-[(6-chloro-3,4-dihydro-2H…

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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) 4.19 8.79 -46 2 3 1 35 310.845 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)ethanamine (1S)-1-cyclopentyl-N-(3,4-dihydr…

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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 8.28 -43.81 2 3 1 35 276.4 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)ethanamine (1R)-1-cyclopentyl-N-(3,4-dihydr…

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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 8.26 -43.71 2 3 1 35 276.4 4 ↓

Analogs

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Popular Name: (1S)-N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-cyclopentyl-ethanamine (1S)-N-[(6-bromo-3,4-dihydro-2H-…

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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) 4.32 8.93 -45.64 2 3 1 35 355.296 4 ↓

Analogs

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Popular Name: (1R)-N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-cyclopentyl-ethanamine (1R)-N-[(6-bromo-3,4-dihydro-2H-…

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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) 4.32 8.91 -45.75 2 3 1 35 355.296 4 ↓

Analogs

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Popular Name: 1-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(cyclopentylmethyl)methanamine 1-(9-chloro-3,4-dihydro-2H-1,5-b…

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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) 3.86 8.4 -48.8 2 3 1 35 296.818 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 533392 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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