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

Analogs

12036195
12036195
12281175
12281175
12281176
12281176

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Popular Name: (5S)-N,N-diallyl-2-(cyclobutanecarbonylamino)-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide (5S)-N,N-diallyl-2-(cyclobutanec…

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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) 2.54 -0.31 -13.48 1 6 0 79 373.478 7 ↓

Analogs

12281175
12281175
12281176
12281176
12036190
12036190

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N,N-diallyl-2-(cyclobutanecarbonylamino)-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide (5R)-N,N-diallyl-2-(cyclobutanec…

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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) 2.54 -0.34 -13.4 1 6 0 79 373.478 7 ↓

Analogs

12041558
12041558
12245028
12245028
12245029
12245029
14963471
14963471
14963475
14963475

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-(cyclobutanecarbonylamino)-N-isopropyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide (5S)-2-(cyclobutanecarbonylamino…

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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) 1.68 -3.08 -14.26 2 6 0 88 335.429 4 ↓

Analogs

12245028
12245028
12245029
12245029
14963471
14963471
14963475
14963475
12041555
12041555

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(cyclobutanecarbonylamino)-N-isopropyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide (5R)-2-(cyclobutanecarbonylamino…

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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) 1.68 -3.06 -14.24 2 6 0 88 335.429 4 ↓

Analogs

3633913
3633913

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide N-(5,5-dimethyl-7-oxo-4,6-dihydr…

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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) 2.68 6.35 -12.37 1 4 0 59 278.377 2 ↓

Parameters Provided:

ring.id = 83178
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 = 83178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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