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Analogs

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Popular Name: (1R,8R)-N-[(6-methoxy-2-pyridyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(6-methoxy-2-pyridyl)…

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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) 1.26 3.78 -36.1 2 4 1 39 248.35 4 ↓
Hi High (pH 8-9.5) 1.26 1.29 -5.13 1 4 0 37 247.342 4 ↓

Analogs

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Popular Name: (1S,8R)-N-[(6-methoxy-2-pyridyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(6-methoxy-2-pyridyl)…

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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) 1.26 3.15 -35.8 2 4 1 39 248.35 4 ↓
Hi High (pH 8-9.5) 1.26 0.64 -5.51 1 4 0 37 247.342 4 ↓

Analogs

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Popular Name: (1R,8R)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(4-methoxy-3,5-dimeth…

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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) 2.07 5.83 -34.54 2 4 1 39 276.404 4 ↓
Hi High (pH 8-9.5) 2.07 3.34 -4.02 1 4 0 37 275.396 4 ↓
Mid Mid (pH 6-8) 2.07 6.36 -79.83 3 4 2 40 277.412 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(4-methoxy-3,5-dimeth…

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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) 2.07 5.22 -33.77 2 4 1 39 276.404 4 ↓
Hi High (pH 8-9.5) 2.07 2.7 -4.51 1 4 0 37 275.396 4 ↓
Mid Mid (pH 6-8) 2.07 5.72 -79.65 3 4 2 40 277.412 4 ↓

Parameters Provided:

ring.id = 520901
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 = 520901 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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