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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-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentanecarboxamide 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) 1.77 5.08 -12.27 2 6 0 77 342.395 5 ↓

Analogs

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Popular Name: (1R,3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-cyclopentanamine (1R,3S)-3-(2,3-dihydro-1,4-benzo…

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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) 2.33 5.88 -43.93 2 3 1 35 234.319 2 ↓

Analogs

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Popular Name: (1S,3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-cyclopentanamine (1S,3S)-3-(2,3-dihydro-1,4-benzo…

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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) 2.33 5.91 -43.83 2 3 1 35 234.319 2 ↓

Analogs

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Popular Name: (1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-cyclopentanamine (1R,3R)-3-(2,3-dihydro-1,4-benzo…

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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) 2.33 5.92 -43.43 2 3 1 35 234.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-cyclopentanamine (1S,3R)-3-(2,3-dihydro-1,4-benzo…

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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) 2.33 5.88 -43.83 2 3 1 35 234.319 2 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methoxy-cyclopentanecarboxamide 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) 1.96 5.91 -13.74 1 5 0 57 277.32 3 ↓
Hi High (pH 8-9.5) 2.15 3.34 -48.24 0 5 -1 63 276.312 3 ↓
Hi High (pH 8-9.5) 2.15 4.57 -53.68 0 5 -1 63 276.312 3 ↓

Analogs

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Popular Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]ethanamine N-[[1-(2,3-dihydro-1,4-benzodiox…

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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) 2.71 7.32 -38.92 2 3 1 35 262.373 4 ↓

Analogs

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Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)-2-oxo-ethyl]-N-methyl-cyclopentanecarboxamide 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) 2.23 6.52 -14.74 1 6 0 68 346.427 5 ↓

Analogs

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Popular Name: N-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-4-oxo-butyl]-2,2-dimethyl-propanamide N-[4-[[1-(2,3-dihydro-1,4-benzod…

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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) 3.67 7.2 -15.13 2 6 0 77 388.508 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-cyclopentanecarboxamide 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) 2.01 5.27 -10.6 1 4 0 48 261.321 2 ↓

Parameters Provided:

ring.id = 16201
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 = 16201 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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