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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: (2S)-N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]piperazine-2-carboxamide (2S)-N-[(1S,8aS)-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) -0.47 1.9 -96.58 5 5 2 62 254.378 2 ↓
Mid Mid (pH 6-8) -0.47 0.54 -39.06 4 5 1 58 253.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]piperazine-2-carboxamide (2S)-N-[(1R,8aS)-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) -0.47 1.62 -94.09 5 5 2 62 254.378 2 ↓
Mid Mid (pH 6-8) -0.47 0.26 -38.07 4 5 1 58 253.37 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-piperazine-2-carboxamide (2S,5R)-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) 0.21 2.46 -97.42 5 5 2 62 268.405 2 ↓
Mid Mid (pH 6-8) 0.21 1.3 -38.49 4 5 1 58 267.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-piperazine-2-carboxamide (2S,5S)-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) 0.21 2.52 -96.77 5 5 2 62 268.405 2 ↓
Mid Mid (pH 6-8) 0.21 1.25 -39.06 4 5 1 58 267.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-piperazine-2-carboxamide (2R,5R)-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) 0.21 2.57 -95.11 5 5 2 62 268.405 2 ↓
Mid Mid (pH 6-8) 0.21 1.29 -38.98 4 5 1 58 267.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-piperazine-2-carboxamide (2R,5S)-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) 0.21 2.47 -96.1 5 5 2 62 268.405 2 ↓
Mid Mid (pH 6-8) 0.21 1.2 -39.12 4 5 1 58 267.397 2 ↓

Parameters Provided:

ring.id = 279186
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 = 279186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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