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Analogs

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Popular Name: (1R,8R)-N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-pyridazin-3-yl-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) 0.73 5.21 -87.34 3 4 2 43 206.293 2 ↓
Hi High (pH 8-9.5) 0.73 2.61 -6.89 1 4 0 41 204.277 2 ↓
Mid Mid (pH 6-8) 0.73 5.21 -85.07 3 4 2 43 206.293 2 ↓

Analogs

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Popular Name: (1S,8R)-N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-pyridazin-3-yl-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) 0.73 4.92 -86.94 3 4 2 43 206.293 2 ↓
Hi High (pH 8-9.5) 0.73 2.23 -7.45 1 4 0 41 204.277 2 ↓
Mid Mid (pH 6-8) 0.73 4.75 -42.15 2 4 1 42 205.285 2 ↓

Analogs

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Popular Name: (1R,8R)-N-(6-methylpyridazin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-(6-methylpyridazin-3-y…

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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) 0.98 5.64 -43.53 2 4 1 42 219.312 2 ↓
Lo Low (pH 4.5-6) 0.98 5.81 -87.2 3 4 2 43 220.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-(6-methylpyridazin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-(6-methylpyridazin-3-y…

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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) 0.98 5.35 -42.4 2 4 1 42 219.312 2 ↓
Lo Low (pH 4.5-6) 0.98 5.53 -86.8 3 4 2 43 220.32 2 ↓

Analogs

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Popular Name: (1R,8R)-N-(6-chloropyridazin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-(6-chloropyridazin-3-y…

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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) 1.94 5.45 -45.19 2 4 1 42 239.73 2 ↓

Analogs

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Popular Name: (1S,8R)-N-(6-chloropyridazin-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-(6-chloropyridazin-3-y…

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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) 1.94 5.16 -44.02 2 4 1 42 239.73 2 ↓

Analogs

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Popular Name: 3-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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) 1.47 5.56 -43.33 4 5 1 68 292.432 3 ↓
Lo Low (pH 4.5-6) 1.47 5.67 -92.59 5 5 2 70 293.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-5,6-dimethyl-pyridazine-4-carbothioamide 3-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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) 1.47 5.26 -42.78 4 5 1 68 292.432 3 ↓
Lo Low (pH 4.5-6) 1.47 5.36 -91.8 5 5 2 70 293.44 3 ↓

Analogs

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Popular Name: 6-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]pyridazine-3-carboxylic 6-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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) 0.57 5.56 -79.05 2 6 0 82 248.286 3 ↓
Lo Low (pH 4.5-6) 0.57 5.73 -91.8 3 6 1 84 249.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]pyridazine-3-carboxylic 6-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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) 0.57 5.27 -77.77 2 6 0 82 248.286 3 ↓
Lo Low (pH 4.5-6) 0.57 5.44 -91.56 3 6 1 84 249.294 3 ↓

Parameters Provided:

ring.id = 25816
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 = 25816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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