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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: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,5-dimethyl-pyrrole-3-carboxylic 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) 1.91 10 -82.04 1 4 0 49 262.353 2 ↓
Hi High (pH 8-9.5) 1.91 9.4 -58.19 0 4 -1 48 261.345 2 ↓

Analogs

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Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,5-dimethyl-pyrrole-3-carboxylic 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) 1.91 9.52 -83.68 1 4 0 49 262.353 2 ↓
Hi High (pH 8-9.5) 1.91 7.38 -55.15 0 4 -1 48 261.345 2 ↓

Analogs

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Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,5-dimethyl-pyrrole-3-carbaldehyde 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) 2.13 9.19 -45.7 1 3 1 26 247.362 2 ↓
Hi High (pH 8-9.5) 2.13 8.58 -10 0 3 0 25 246.354 2 ↓

Analogs

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Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,5-dimethyl-pyrrole-3-carbaldehyde 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) 2.13 8.71 -48.23 1 3 1 26 247.362 2 ↓
Hi High (pH 8-9.5) 2.13 6.56 -8.64 0 3 0 25 246.354 2 ↓

Analogs

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Popular Name: 1-[1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,5-dimethyl-pyrrol-3-yl]-2-chloro-ethanone 1-[1-[(1R,8aR)-1,2,3,5,6,7,8,8a-…

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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) 2.46 10.66 -43.92 1 3 1 26 295.834 3 ↓
Hi High (pH 8-9.5) 2.46 10.06 -6.51 0 3 0 25 294.826 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,5-dimethyl-pyrrol-3-yl]-2-chloro-ethanone 1-[1-[(1S,8aR)-1,2,3,5,6,7,8,8a-…

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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) 2.46 10.19 -44.94 1 3 1 26 295.834 3 ↓
Hi High (pH 8-9.5) 2.46 8.03 -6.77 0 3 0 25 294.826 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,5-dimethyl-pyrrol-3-yl]-2-chloro-pro (2R)-1-[1-[(1R,8aR)-1,2,3,5,6,7,…

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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) 2.83 11.06 -40.7 1 3 1 26 309.861 3 ↓
Hi High (pH 8-9.5) 2.83 10.46 -5.04 0 3 0 25 308.853 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2,5-dimethyl-pyrrol-3-yl]-2-chloro-pro (2R)-1-[1-[(1S,8aR)-1,2,3,5,6,7,…

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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) 2.83 10.58 -42.26 1 3 1 26 309.861 3 ↓
Hi High (pH 8-9.5) 2.83 8.43 -4.64 0 3 0 25 308.853 3 ↓

Analogs

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Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-amino-4,5-dimethyl-pyrrole-3-carbonitrile 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) 1.85 9.19 -44.48 3 4 1 59 259.377 1 ↓
Hi High (pH 8-9.5) 1.85 7.83 -7.96 2 4 0 58 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-amino-4,5-dimethyl-pyrrole-3-carbonitrile 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) 1.85 8.65 -47.75 3 4 1 59 259.377 1 ↓
Hi High (pH 8-9.5) 1.85 6.5 -6.56 2 4 0 58 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]pyrrole-2-carbaldehyde 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) 1.99 7.94 -46.06 1 3 1 26 219.308 2 ↓
Hi High (pH 8-9.5) 1.99 5.88 -6.22 0 3 0 25 218.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]pyrrole-2-carbaldehyde 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) 1.99 7.77 -46.44 1 3 1 26 219.308 2 ↓
Hi High (pH 8-9.5) 1.99 5.61 -6.01 0 3 0 25 218.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]pyrrole-2-carboxylic 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) 1.78 8.77 -65.02 1 4 0 49 234.299 2 ↓
Hi High (pH 8-9.5) 1.78 6.72 -49.33 0 4 -1 48 233.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]pyrrole-2-carboxylic 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) 1.78 8.61 -62.75 1 4 0 49 234.299 2 ↓
Hi High (pH 8-9.5) 1.78 6.47 -51.35 0 4 -1 48 233.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-1-(2,5-dimethylpyrrol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (1R,8aR)-1-(2,5-dimethylpyrrol-1…

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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) 2.41 9.54 -36.03 1 2 1 9 219.352 1 ↓
Hi High (pH 8-9.5) 2.41 8.59 -3.37 0 2 0 8 218.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-1-(2,5-dimethylpyrrol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (1S,8aR)-1-(2,5-dimethylpyrrol-1…

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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) 2.41 9.04 -38.13 1 2 1 9 219.352 1 ↓
Hi High (pH 8-9.5) 2.41 6.88 -2.89 0 2 0 8 218.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-1-pyrrol-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine (1R,8aR)-1-pyrrol-1-yl-1,2,3,5,6…

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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) 1.97 8.47 -35.79 1 2 1 9 191.298 1 ↓
Hi High (pH 8-9.5) 1.97 6.38 -2.64 0 2 0 8 190.29 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-1-pyrrol-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizine (1S,8aR)-1-pyrrol-1-yl-1,2,3,5,6…

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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) 1.97 8.29 -36.83 1 2 1 9 191.298 1 ↓
Hi High (pH 8-9.5) 1.97 6.15 -2.28 0 2 0 8 190.29 1 ↓

Parameters Provided:

ring.id = 588401
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 = 588401 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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