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

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-(2,5-dimethylphenyl)sulfonylethyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[2-(2,5-dimethylphenyl)sulfony…

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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) 1.65 6.25 -18.95 0 6 0 68 348.472 5 ↓
Lo Low (pH 4.5-6) 1.65 8.5 -66.53 1 6 1 69 349.48 5 ↓

Analogs

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Popular Name: 7-[2-(benzenesulfonyl)ethyl]-3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[2-(benzenesulfonyl)ethyl]-3-e…

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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) 0.38 4.97 -19.13 0 6 0 68 320.418 5 ↓
Lo Low (pH 4.5-6) 0.38 7.2 -65.51 1 6 1 69 321.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-(2,5-dimethylphenyl)sulfonylethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[2-(2,5-dimethylphenyl)sulfony…

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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) 1.08 5.63 -19.63 0 6 0 68 334.445 4 ↓
Lo Low (pH 4.5-6) 1.08 7.88 -66.94 1 6 1 69 335.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-(4-chlorophenyl)sulfonylethyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 7-[2-(4-chlorophenyl)sulfonyleth…

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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) 0.49 4.87 -19.11 0 6 0 68 340.836 4 ↓

Parameters Provided:

ring.id = 339179
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 = 339179 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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