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

Analogs

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Popular Name: 5-[1-(benzenesulfonyl)-4-piperidyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-triazolo[4,5-e]pyr 5-[1-(benzenesulfonyl)-4-piperid…

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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) 2.17 4.48 -61.12 0 11 -1 135 507.552 5 ↓
Lo Low (pH 4.5-6) 1.71 6.22 -41.75 1 11 0 132 508.56 5 ↓
Lo Low (pH 4.5-6) 1.71 6.71 -26.97 1 11 0 132 508.56 5 ↓

Analogs

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Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[1-(2-fluorophenyl)sulfonyl-4-piperidyl]triazolo[4,5-d] 3-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.29 4.4 -62.06 0 11 -1 135 525.542 5 ↓
Lo Low (pH 4.5-6) 1.83 6.64 -27.19 1 11 0 132 526.55 5 ↓
Lo Low (pH 4.5-6) 1.83 6.15 -41.32 1 11 0 132 526.55 5 ↓

Analogs

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Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidyl]triazolo[4, 3-(2,3-dihydro-1,4-benzodioxin-6…

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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) 3.00 5.55 -61.72 0 11 -1 135 535.606 5 ↓
Lo Low (pH 4.5-6) 2.54 7.79 -27.92 1 11 0 132 536.614 5 ↓
Lo Low (pH 4.5-6) 2.54 7.3 -42.56 1 11 0 132 536.614 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[1-(4-fluorophenyl)sulfonyl-4-piperidyl]triazolo[4,5-d] 3-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.34 4.55 -59.47 0 11 -1 135 525.542 5 ↓
Lo Low (pH 4.5-6) 1.88 6.29 -41.36 1 11 0 132 526.55 5 ↓
Lo Low (pH 4.5-6) 1.88 6.78 -26.97 1 11 0 132 526.55 5 ↓

Parameters Provided:

ring.id = 255657
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 = 255657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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