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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-pyridazin-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-pyridazin-3-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) 1.24 6.13 -88.16 3 4 2 43 220.32 2 ↓
Hi High (pH 8-9.5) 1.24 3.7 -7.46 1 4 0 41 218.304 2 ↓
Mid Mid (pH 6-8) 1.24 6.13 -84.38 3 4 2 43 220.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-pyridazin-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-pyridazin-3-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) 1.24 5.92 -87.93 3 4 2 43 220.32 2 ↓
Hi High (pH 8-9.5) 1.24 3.59 -6.59 1 4 0 41 218.304 2 ↓
Mid Mid (pH 6-8) 1.24 5.92 -85.12 3 4 2 43 220.32 2 ↓

Analogs

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Popular Name: (1R,8aR)-N-(6-methylpyridazin-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(6-methylpyridazin-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) 1.48 6.56 -40.9 2 4 1 42 233.339 2 ↓
Lo Low (pH 4.5-6) 1.48 6.74 -88.02 3 4 2 43 234.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(6-methylpyridazin-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-methylpyridazin-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) 1.48 6.35 -42.31 2 4 1 42 233.339 2 ↓
Lo Low (pH 4.5-6) 1.48 6.52 -87.87 3 4 2 43 234.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(6-chloropyridazin-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(6-chloropyridazin-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) 2.45 6.37 -42.85 2 4 1 42 253.757 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(6-chloropyridazin-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-chloropyridazin-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) 2.45 6.15 -44.07 2 4 1 42 253.757 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-5,6-dimethyl-pyridazine-4-carbothioamid 3-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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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 6.49 -43.12 4 5 1 68 306.459 3 ↓
Lo Low (pH 4.5-6) 1.97 6.59 -93.77 5 5 2 70 307.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-5,6-dimethyl-pyridazine-4-carbothioamid 3-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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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 6.25 -41.62 4 5 1 68 306.459 3 ↓
Lo Low (pH 4.5-6) 1.97 6.34 -92.97 5 5 2 70 307.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]pyridazine-3-carboxylic 6-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 1.07 6.48 -76.48 2 6 0 82 262.313 3 ↓
Lo Low (pH 4.5-6) 1.07 6.65 -92.39 3 6 1 84 263.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]pyridazine-3-carboxylic 6-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 1.07 6.27 -77.18 2 6 0 82 262.313 3 ↓
Lo Low (pH 4.5-6) 1.07 6.43 -92.01 3 6 1 84 263.321 3 ↓

Parameters Provided:

ring.id = 25812
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 = 25812 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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