UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12207523
12207523

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Popular Name: 4-[4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-phenyl]sulfonylpiperazine-1-carbaldehyde 4-[4-(1,1-dioxothiazinan-2-yl)-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) 1.16 -6.99 -22.02 0 8 0 95 415.537 3 ↓

Analogs

12207530
12207530

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Popular Name: 1-[4-[4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-phenyl]sulfonylpiperazin-1-yl]ethanone 1-[4-[4-(1,1-dioxothiazinan-2-yl…

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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) 1.14 -7.19 -23.18 0 8 0 95 429.564 3 ↓

Analogs

12207833
12207833

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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) 2.23 -6.79 -21.11 0 9 0 104 459.59 5 ↓

Analogs

21756509
21756509

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Popular Name: 2-[3-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]thiazinane 2-[3-methyl-4-(4-methylpiperazin…

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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) 1.40 1.57 -16.49 0 7 0 78 387.527 3 ↓

Analogs

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Popular Name: 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-3-methyl-phenyl]thiazinane 2-[4-(4-ethylpiperazin-1-yl)sulf…

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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) 1.78 2.41 -18.07 0 7 0 78 401.554 4 ↓

Analogs

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Popular Name: 2-[4-(4-ethylpiperazin-1-yl)sulfonyl-3,5-dimethyl-phenyl]thiazinane 2-[4-(4-ethylpiperazin-1-yl)sulf…

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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) 2.15 3.53 -16.1 0 7 0 78 415.581 4 ↓

Parameters Provided:

ring.id = 71972
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 = 71972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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