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

23364578
23364578
23364581
23364581
23364585
23364585

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (2R,3R)-N-(5-butyl-1,3,4-thiadia…

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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) 2.69 8.13 -23.58 1 6 0 73 333.413 5 ↓
Hi High (pH 8-9.5) 2.87 7.31 -48.28 0 6 -1 80 332.405 5 ↓

Analogs

23364581
23364581
23364585
23364585
23364575
23364575

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (2R,3S)-N-(5-butyl-1,3,4-thiadia…

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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) 2.69 7.13 -12.6 1 6 0 73 333.413 5 ↓
Hi High (pH 8-9.5) 2.87 6.09 -44.89 0 6 -1 80 332.405 5 ↓

Analogs

23364585
23364585
23364575
23364575
23364578
23364578

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (2S,3R)-N-(5-butyl-1,3,4-thiadia…

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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) 2.69 8.25 -20.39 1 6 0 73 333.413 5 ↓
Hi High (pH 8-9.5) 2.87 7.4 -47.08 0 6 -1 80 332.405 5 ↓

Analogs

23364575
23364575
23364578
23364578
23364581
23364581

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (2S,3S)-N-(5-butyl-1,3,4-thiadia…

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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) 2.69 8.24 -23.85 1 6 0 73 333.413 5 ↓
Hi High (pH 8-9.5) 2.87 7.39 -48.38 0 6 -1 80 332.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide N-[5-(trifluoromethyl)-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) 1.60 5.15 -18.25 1 6 0 73 331.275 3 ↓
Mid Mid (pH 6-8) 1.79 2.66 -39.64 0 6 -1 80 330.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide N-[5-(trifluoromethyl)-1,3,4-thi…

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) 1.60 5.15 -18.24 1 6 0 73 331.275 3 ↓
Mid Mid (pH 6-8) 1.79 2.66 -39.48 0 6 -1 80 330.267 3 ↓

Parameters Provided:

ring.id = 140137
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 = 140137 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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