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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[[5-(dimethylamino)-3-isopropyl-1-methyl-pyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroi (1R,8aR)-N-[[5-(dimethylamino)-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) 2.42 8.85 -71.26 3 5 2 39 321.513 5 ↓
Hi High (pH 8-9.5) 2.42 6.47 -4.88 1 5 0 36 319.497 5 ↓
Hi High (pH 8-9.5) 2.42 8.72 -34.02 2 5 1 38 320.505 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[[5-(dimethylamino)-3-isopropyl-1-methyl-pyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroi (1S,8aR)-N-[[5-(dimethylamino)-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) 2.42 8.67 -71.5 3 5 2 39 321.513 5 ↓
Hi High (pH 8-9.5) 2.42 6.28 -4.55 1 5 0 36 319.497 5 ↓
Hi High (pH 8-9.5) 2.42 8.54 -35.15 2 5 1 38 320.505 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1-tert-butylpyrazol…

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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) 2.10 7.48 -32.79 2 4 1 34 277.436 4 ↓
Mid Mid (pH 6-8) 2.10 6.49 -40.67 2 4 1 38 277.436 4 ↓
Lo Low (pH 4.5-6) 2.10 8.74 -111.44 3 4 2 39 278.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1-tert-butylpyrazol…

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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) 2.10 7.3 -34.74 2 4 1 34 277.436 4 ↓
Mid Mid (pH 6-8) 2.10 6.18 -42.35 2 4 1 38 277.436 4 ↓
Lo Low (pH 4.5-6) 2.10 8.44 -111.76 3 4 2 39 278.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(3-isopropyl-1-methy…

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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) 2.20 7.29 -34.56 2 4 1 34 277.436 4 ↓
Mid Mid (pH 6-8) 2.20 6.31 -42.04 2 4 1 38 277.436 4 ↓
Lo Low (pH 4.5-6) 2.20 8.56 -116.09 3 4 2 39 278.444 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(3-isopropyl-1-methy…

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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) 2.20 7.11 -36.05 2 4 1 34 277.436 4 ↓
Mid Mid (pH 6-8) 2.20 6 -44.06 2 4 1 38 277.436 4 ↓
Lo Low (pH 4.5-6) 2.20 8.26 -115.75 3 4 2 39 278.444 4 ↓

Parameters Provided:

ring.id = 333362
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 = 333362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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