UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-acetylpiperazin-1-yl)-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one 3-(4-acetylpiperazin-1-yl)-6-(4-…

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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) 0.55 5.65 -17.79 1 8 0 91 329.36 3 ↓
Mid Mid (pH 6-8) 1.01 4.65 -49.1 0 8 -1 95 328.352 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.64 6.48 -16.46 1 9 0 101 359.386 5 ↓
Mid Mid (pH 6-8) 2.10 5.47 -45.25 0 9 -1 104 358.378 5 ↓

Parameters Provided:

ring.id = 552955
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 = 552955 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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