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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: (7R)-2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-2-[(1S,4R)-5-azabicyclo[2.2…

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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 6.66 -44.68 3 3 1 44 278.445 1 ↓
Hi High (pH 8-9.5) 1.42 6.33 -7.01 2 3 0 42 277.437 1 ↓
Mid Mid (pH 6-8) 1.42 6.77 -20.71 3 3 1 43 278.445 1 ↓

Analogs

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Popular Name: (7R)-2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-[(1S,4R)-5-azabicyclo[2.2…

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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) 0.54 5.79 -44.24 3 3 1 44 250.391 1 ↓
Hi High (pH 8-9.5) 0.54 5.46 -7.39 2 3 0 42 249.383 1 ↓
Mid Mid (pH 6-8) 0.54 6.22 -90.89 4 3 2 45 251.399 1 ↓

Analogs

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Popular Name: (7R)-2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-am (7R)-2-[(1S,4R)-5-azabicyclo[2.2…

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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) 3.68 8.41 -38.97 2 3 1 33 292.472 2 ↓
Hi High (pH 8-9.5) 3.68 6.99 -7.29 1 3 0 28 291.464 2 ↓
Mid Mid (pH 6-8) 3.68 8.84 -86.14 3 3 2 34 293.48 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-2-[(1S,4R)-5-azabicyclo[2.2…

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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) 3.12 6.54 -22.9 2 3 1 38 279.429 1 ↓
Mid Mid (pH 6-8) 3.12 6.1 -7.4 1 3 0 36 278.421 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-[(1S,4R)-5-azabicyclo[2.2…

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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) 2.23 5.2 -7.68 1 3 0 36 250.367 1 ↓
Mid Mid (pH 6-8) 2.23 5.64 -23.09 2 3 1 38 251.375 1 ↓

Parameters Provided:

ring.id = 158381
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 = 158381 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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