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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(5-methylpyrazin-2-yl…

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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) 0.14 0.78 -45.84 3 4 1 57 233.339 2 ↓
Lo Low (pH 4.5-6) 0.14 2.96 -105.09 4 4 2 58 234.347 2 ↓

Analogs

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Popular Name: (1R,5S)-N-methyl-8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-methyl-8-[(5-methylpyr…

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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) 1.05 3.25 -39.57 2 4 1 46 247.366 3 ↓
Lo Low (pH 4.5-6) 1.05 5.41 -101.73 3 4 2 47 248.374 3 ↓

Analogs

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Popular Name: (1R,5S)-N-ethyl-8-[(5-methylpyrazin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-ethyl-8-[(5-methylpyra…

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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) 1.42 4.39 -36.37 2 4 1 46 261.393 4 ↓
Lo Low (pH 4.5-6) 1.42 6.65 -101.1 3 4 2 47 262.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-8-[(5-methylpyrazin-2-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(5-methylpyrazin-2-yl…

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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) 1.93 5.16 -36.86 2 4 1 46 275.42 5 ↓
Lo Low (pH 4.5-6) 1.93 7.42 -102.78 3 4 2 47 276.428 5 ↓

Parameters Provided:

ring.id = 210449
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 = 210449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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