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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,5S)-9-[(3R)-1,1-dioxothian-3-yl]-N-methyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(3R)-1,1-dioxothian-3…

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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) 1.19 2.54 -46.22 2 4 1 54 287.449 2 ↓
Lo Low (pH 4.5-6) 1.19 3.89 -113.73 3 4 2 55 288.457 2 ↓

Analogs

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Popular Name: (1R,5S)-9-[(3R)-1,1-dioxothian-3-yl]-N-propyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(3R)-1,1-dioxothian-3…

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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) 2.07 3.52 -50.36 2 4 1 54 315.503 4 ↓
Lo Low (pH 4.5-6) 2.07 5.36 -124.2 3 4 2 55 316.511 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(3R)-1,1-dioxothian-3-yl]-9-azabicyclo[3.3.1]nonan-3-amine (1R,5S)-9-[(3R)-1,1-dioxothian-3…

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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) 0.28 0.39 -50.54 3 4 1 65 273.422 1 ↓
Lo Low (pH 4.5-6) 0.28 2.32 -117.56 4 4 2 66 274.43 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-9-[(3R)-1,1-dioxothian-3-yl]-N-ethyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(3R)-1,1-dioxothian-3…

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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) 1.57 3.31 -50.3 2 4 1 54 301.476 3 ↓
Lo Low (pH 4.5-6) 1.57 4.67 -124.7 3 4 2 55 302.484 3 ↓

Parameters Provided:

ring.id = 290696
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 = 290696 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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