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

Analogs

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Popular Name: 5-(3,4-dimethylphenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-methyl-1,1-dioxo-isothiazol-3-a 5-(3,4-dimethylphenyl)-N-[4-[(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) 4.24 8.8 -58.23 1 6 0 68 452.624 6 ↓
Hi High (pH 8-9.5) 4.24 6.41 -45.87 0 6 -1 67 451.616 6 ↓
Mid Mid (pH 6-8) 4.24 8.77 -65.39 1 6 0 68 452.624 6 ↓

Analogs

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Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-isothiazol-3-amin N-[4-[(4-ethylpiperazin-1-yl)met…

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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) 3.47 6.86 -57.31 1 7 0 78 454.596 7 ↓
Hi High (pH 8-9.5) 3.47 4.47 -44.51 0 7 -1 76 453.588 7 ↓
Mid Mid (pH 6-8) 3.47 6.84 -64.36 1 7 0 78 454.596 7 ↓

Analogs

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Popular Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-(4-isopropylphenyl)-4-methyl-1,1-dioxo-isothiazol-3-am N-[4-[(4-ethylpiperazin-1-yl)met…

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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) 4.93 9.92 -55.26 1 6 0 68 466.651 7 ↓
Hi High (pH 8-9.5) 4.93 7.6 -42.44 0 6 -1 67 465.643 7 ↓
Mid Mid (pH 6-8) 4.93 9.91 -59.59 1 6 0 68 466.651 7 ↓

Parameters Provided:

ring.id = 82647
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 = 82647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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