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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide N-(1-cyanocyclohexyl)-2-(3-methy…

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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 4.62 -28.82 1 7 0 87 302.382 3 ↓
Mid Mid (pH 6-8) 0.69 6.81 -69.94 2 7 1 88 303.39 3 ↓

Analogs

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Popular Name: 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohe 2-(3-methyl-6,8-dihydro-5H-[1,2,…

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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) 1.39 5.82 -20.32 1 6 0 63 345.369 4 ↓
Mid Mid (pH 6-8) 1.39 8 -60.61 2 6 1 64 346.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohe 2-(3-methyl-6,8-dihydro-5H-[1,2,…

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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) 1.39 6.23 -20.81 1 6 0 63 345.369 4 ↓
Mid Mid (pH 6-8) 1.39 8.41 -62.4 2 6 1 64 346.377 4 ↓

Parameters Provided:

ring.id = 364485
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 = 364485 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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