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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: (3S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-ethyl-piperidine-3-carboxamide (3S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8…

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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) 1.58 6.44 -81.75 4 4 2 50 281.444 3 ↓
Hi High (pH 8-9.5) 1.58 4.2 -33.79 3 4 1 49 280.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.58 6.48 -83.47 4 4 2 50 281.444 3 ↓
Hi High (pH 8-9.5) 1.58 4.24 -33.34 3 4 1 49 280.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.58 6.16 -80.97 4 4 2 50 281.444 3 ↓
Hi High (pH 8-9.5) 1.58 4.01 -34.76 3 4 1 49 280.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-ethyl-piperidine-3-carboxamide (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8…

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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) 1.58 6.2 -80.93 4 4 2 50 281.444 3 ↓
Hi High (pH 8-9.5) 1.58 4.06 -34.77 3 4 1 49 280.436 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8…

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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) 1.24 6.06 -80.89 4 4 2 50 267.417 2 ↓
Hi High (pH 8-9.5) 1.24 3.81 -32.74 3 4 1 49 266.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.24 6.06 -81.9 4 4 2 50 267.417 2 ↓
Hi High (pH 8-9.5) 1.24 3.81 -32.44 3 4 1 49 266.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.24 5.76 -80.07 4 4 2 50 267.417 2 ↓
Hi High (pH 8-9.5) 1.24 3.62 -33.76 3 4 1 49 266.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8…

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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) 1.24 5.76 -79.7 4 4 2 50 267.417 2 ↓
Hi High (pH 8-9.5) 1.24 3.62 -33.67 3 4 1 49 266.409 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8…

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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) 2.14 7.2 -82.48 4 4 2 50 295.471 4 ↓
Hi High (pH 8-9.5) 2.14 4.96 -34.11 3 4 1 49 294.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.14 7.24 -84.23 4 4 2 50 295.471 4 ↓
Hi High (pH 8-9.5) 2.14 4.99 -33.69 3 4 1 49 294.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 2.14 6.92 -81.62 4 4 2 50 295.471 4 ↓
Hi High (pH 8-9.5) 2.14 4.78 -35.16 3 4 1 49 294.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(1S,8aR)-1,2,3,5,6,7,8,8…

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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) 2.14 6.97 -81.59 4 4 2 50 295.471 4 ↓
Hi High (pH 8-9.5) 2.14 4.82 -35.18 3 4 1 49 294.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-piperidine-3-carboxamide (3S,6R)-N-[(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) 1.35 6.07 -98.45 4 4 2 50 267.417 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-piperidine-3-carboxamide (3S,6S)-N-[(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) 1.35 6.08 -99.57 4 4 2 50 267.417 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-piperidine-3-carboxamide (3R,6R)-N-[(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) 1.35 6.08 -98.14 4 4 2 50 267.417 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-piperidine-3-carboxamide (3R,6S)-N-[(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) 1.35 6.07 -95.25 4 4 2 50 267.417 2 ↓

Parameters Provided:

ring.id = 291811
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 = 291811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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