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

14240048
14240048

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Popular Name: (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide (4R)-2-oxo-N-(5-pentyl-1,3,4-thi…

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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 6.89 -21.31 2 6 0 84 344.44 6 ↓

Analogs

14240046
14240046

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Popular Name: (4S)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide (4S)-2-oxo-N-(5-pentyl-1,3,4-thi…

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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 6.9 -21.48 2 6 0 84 344.44 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide (4R)-2-oxo-N-(1,3,4-thiadiazol-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) 0.69 2.95 -22.78 2 6 0 84 274.305 2 ↓
Hi High (pH 8-9.5) 0.88 1.86 -48.76 1 6 -1 90 273.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide (4S)-2-oxo-N-(1,3,4-thiadiazol-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.69 2.93 -22.8 2 6 0 84 274.305 2 ↓
Hi High (pH 8-9.5) 0.88 1.85 -48.81 1 6 -1 90 273.297 2 ↓

Parameters Provided:

ring.id = 236044
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 = 236044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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