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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: 8-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,7-diazabicyclo[4.4.0]deca-2,4 8-[(4-ethyl-5-morpholino-1,2,4-t…

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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) 1.80 11.03 -17.94 0 8 0 78 386.481 5 ↓
Lo Low (pH 4.5-6) 1.80 11.43 -41.14 1 8 1 79 387.489 5 ↓

Analogs

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Popular Name: 8-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1,7-diazabicyclo[4.4.0]deca-2,4 8-[(4-ethyl-5-morpholino-1,2,4-t…

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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) 2.37 11.07 -17.89 0 8 0 78 386.481 5 ↓
Lo Low (pH 4.5-6) 2.37 11.47 -41.45 1 8 1 79 387.489 5 ↓

Analogs

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Popular Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(4-isobutyl-5-morpholino-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) 2.72 11.44 -18.28 0 8 0 78 400.508 6 ↓
Lo Low (pH 4.5-6) 2.72 11.85 -42.19 1 8 1 79 401.516 6 ↓

Parameters Provided:

ring.id = 5585
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 = 5585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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