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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-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[[1-[(1R)-1-methylpro…

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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) 2.47 7.38 -31.42 2 4 1 34 277.436 5 ↓
Hi High (pH 8-9.5) 2.47 5.13 -6.31 1 4 0 33 276.428 5 ↓
Lo Low (pH 4.5-6) 2.47 8.65 -104.26 3 4 2 39 278.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.47 7.36 -31.56 2 4 1 34 277.436 5 ↓
Hi High (pH 8-9.5) 2.47 5.11 -6.27 1 4 0 33 276.428 5 ↓
Lo Low (pH 4.5-6) 2.47 8.63 -104.41 3 4 2 39 278.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.47 7.2 -33.7 2 4 1 34 277.436 5 ↓
Hi High (pH 8-9.5) 2.47 4.94 -5.69 1 4 0 33 276.428 5 ↓
Lo Low (pH 4.5-6) 2.47 8.35 -104.92 3 4 2 39 278.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.47 7.18 -33.73 2 4 1 34 277.436 5 ↓
Hi High (pH 8-9.5) 2.47 4.92 -5.61 1 4 0 33 276.428 5 ↓
Lo Low (pH 4.5-6) 2.47 8.33 -105.02 3 4 2 39 278.444 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[[1-(1-ethylpropyl)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) 2.97 8.34 -30.79 2 4 1 34 291.463 6 ↓
Hi High (pH 8-9.5) 2.97 6.09 -5.82 1 4 0 33 290.455 6 ↓
Lo Low (pH 4.5-6) 2.97 9.61 -104.06 3 4 2 39 292.471 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[[1-(1-ethylpropyl)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) 2.97 8.16 -32.89 2 4 1 34 291.463 6 ↓
Hi High (pH 8-9.5) 2.97 5.9 -5.15 1 4 0 33 290.455 6 ↓
Lo Low (pH 4.5-6) 2.97 9.31 -104.59 3 4 2 39 292.471 6 ↓

Parameters Provided:

ring.id = 514663
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 = 514663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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