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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(2-chloro-6-methyl-pyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(2-chloro-6-methyl-py…

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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) 2.48 7.24 -41.93 2 4 1 42 267.784 2 ↓
Hi High (pH 8-9.5) 2.48 4.99 -6.06 1 4 0 41 266.776 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(2-chloro-6-methyl-pyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(2-chloro-6-methyl-py…

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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) 2.48 7.03 -43 2 4 1 42 267.784 2 ↓
Hi High (pH 8-9.5) 2.48 4.89 -5.12 1 4 0 41 266.776 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(6-chloro-2-methyl-pyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(6-chloro-2-methyl-py…

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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) 2.15 7.22 -39.63 2 4 1 42 267.784 2 ↓
Hi High (pH 8-9.5) 2.15 4.96 -4.1 1 4 0 41 266.776 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(6-chloro-2-methyl-pyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-chloro-2-methyl-py…

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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) 2.15 7 -39.93 2 4 1 42 267.784 2 ↓
Hi High (pH 8-9.5) 2.15 4.86 -3.8 1 4 0 41 266.776 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(2-methylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(2-methylpyrimidin-4-…

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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) 1.12 6.8 -39.03 2 4 1 42 233.339 2 ↓
Hi High (pH 8-9.5) 1.12 4.54 -5.14 1 4 0 41 232.331 2 ↓
Mid Mid (pH 6-8) 1.12 7.24 -82.78 3 4 2 43 234.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(2-methylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(2-methylpyrimidin-4-…

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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) 1.12 6.58 -39.88 2 4 1 42 233.339 2 ↓
Hi High (pH 8-9.5) 1.12 4.44 -4.52 1 4 0 41 232.331 2 ↓
Mid Mid (pH 6-8) 1.12 7.02 -83.83 3 4 2 43 234.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(6-methylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(6-methylpyrimidin-4-…

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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) 1.48 7.45 -39.1 2 4 1 42 233.339 2 ↓
Mid Mid (pH 6-8) 1.48 7.88 -82.16 3 4 2 43 234.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(6-methylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-methylpyrimidin-4-…

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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) 1.48 7.23 -39.89 2 4 1 42 233.339 2 ↓
Mid Mid (pH 6-8) 1.48 7.66 -82.93 3 4 2 43 234.347 2 ↓

Analogs

44725708
44725708
44725709
44725709

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(6-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(6-ethylpyrimidin-4-y…

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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) 2.05 8.23 -38.81 2 4 1 42 247.366 3 ↓
Mid Mid (pH 6-8) 2.05 8.6 -82.27 3 4 2 43 248.374 3 ↓

Analogs

44725708
44725708
44725709
44725709

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(6-ethylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-ethylpyrimidin-4-y…

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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) 2.05 8.02 -39.77 2 4 1 42 247.366 3 ↓
Mid Mid (pH 6-8) 2.05 8.39 -82.92 3 4 2 43 248.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(6-propylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(6-propylpyrimidin-4-…

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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) 2.55 9.01 -38.73 2 4 1 42 261.393 4 ↓
Mid Mid (pH 6-8) 2.55 9.39 -83.18 3 4 2 43 262.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(6-propylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-propylpyrimidin-4-…

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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) 2.55 8.8 -39.72 2 4 1 42 261.393 4 ↓
Mid Mid (pH 6-8) 2.55 9.18 -83.77 3 4 2 43 262.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(6-isopropylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(6-isopropylpyrimidin…

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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) 2.53 8.68 -39.38 2 4 1 42 261.393 3 ↓
Mid Mid (pH 6-8) 2.53 9.32 -81.95 3 4 2 43 262.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(6-isopropylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-isopropylpyrimidin…

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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) 2.53 8.47 -40.37 2 4 1 42 261.393 3 ↓
Mid Mid (pH 6-8) 2.53 9.11 -82.61 3 4 2 43 262.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-pyrimidin-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-pyrimidin-4-yl-1,2,3,…

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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) 1.04 6.82 -38.73 2 4 1 42 219.312 2 ↓
Lo Low (pH 4.5-6) 1.04 7.32 -84.74 3 4 2 43 220.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-pyrimidin-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-pyrimidin-4-yl-1,2,3,…

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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) 1.04 6.61 -39.5 2 4 1 42 219.312 2 ↓
Lo Low (pH 4.5-6) 1.04 7.11 -85.66 3 4 2 43 220.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(6-chloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(6-chloropyrimidin-4-…

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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) 2.06 7.27 -39.42 2 4 1 42 253.757 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(6-chloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-chloropyrimidin-4-…

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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) 2.06 7.05 -39.79 2 4 1 42 253.757 2 ↓

Parameters Provided:

ring.id = 23417
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 = 23417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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