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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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]piperidin-4-amine 1-[(1S,8aS)-1,2,3,5,6,7,8,8a-oct…

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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) 0.65 4.08 -86.46 4 3 2 35 225.38 1 ↓
Hi High (pH 8-9.5) 0.65 2.82 -41.04 3 3 1 34 224.372 1 ↓
Mid Mid (pH 6-8) 0.65 5.49 -99.65 4 3 2 35 225.38 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]piperidin-4-amine 1-[(1R,8aS)-1,2,3,5,6,7,8,8a-oct…

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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) 0.65 3.55 -84.39 4 3 2 35 225.38 1 ↓
Hi High (pH 8-9.5) 0.65 1.4 -42.66 3 3 1 34 224.372 1 ↓
Mid Mid (pH 6-8) 0.65 5.36 -99.9 4 3 2 35 225.38 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-N-methyl-piperidin-4-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.56 6 -81.98 3 3 2 24 239.407 2 ↓
Hi High (pH 8-9.5) 1.56 4.65 -36.11 2 3 1 23 238.399 2 ↓
Mid Mid (pH 6-8) 1.56 6.29 -100.2 3 3 2 21 239.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-N-methyl-piperidin-4-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.56 5.26 -80.12 3 3 2 24 239.407 2 ↓
Hi High (pH 8-9.5) 1.56 3.13 -37.63 2 3 1 23 238.399 2 ↓
Mid Mid (pH 6-8) 1.56 6.2 -100.45 3 3 2 21 239.407 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-N-ethyl-piperidin-4-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.94 6.85 -81.88 3 3 2 24 253.434 3 ↓
Hi High (pH 8-9.5) 1.94 7.23 -100.46 3 3 2 21 253.434 3 ↓
Hi High (pH 8-9.5) 1.94 5.49 -34.92 2 3 1 23 252.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-N-ethyl-piperidin-4-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.94 6.1 -79.8 3 3 2 24 253.434 3 ↓
Hi High (pH 8-9.5) 1.94 7.14 -100.72 3 3 2 21 253.434 3 ↓
Hi High (pH 8-9.5) 1.94 3.97 -36.51 2 3 1 23 252.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-N-propyl-piperidin-4-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 2.44 7.61 -83.13 3 3 2 24 267.461 4 ↓
Hi High (pH 8-9.5) 2.44 7.98 -100.69 3 3 2 21 267.461 4 ↓
Hi High (pH 8-9.5) 2.44 6.25 -35.77 2 3 1 23 266.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-N-propyl-piperidin-4-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 2.44 6.87 -81.02 3 3 2 24 267.461 4 ↓
Hi High (pH 8-9.5) 2.44 7.89 -100.82 3 3 2 21 267.461 4 ↓
Hi High (pH 8-9.5) 2.44 4.73 -37.37 2 3 1 23 266.453 4 ↓

Parameters Provided:

ring.id = 589131
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 = 589131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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