UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[3-[[4-methyl-1,1-dioxo-5-(p-tolyl)isothiazol-3-yl]amino]propyl]pyrrolidin-2-one 1-[3-[[4-methyl-1,1-dioxo-5-(p-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) 2.12 5.88 -26.14 1 6 0 79 361.467 6 ↓

Analogs

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Popular Name: 1-[3-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-isothiazol-3-yl]amino]propyl]pyrrolidin-2-one 1-[3-[[5-(3,4-dimethylphenyl)-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) 2.50 6.55 -26.25 1 6 0 79 375.494 6 ↓

Analogs

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Popular Name: 1-[3-[[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-isothiazol-3-yl]amino]propyl]pyrrolidin-2-one 1-[3-[[5-(4-methoxyphenyl)-4-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) 1.73 4.47 -26.89 1 7 0 88 377.466 7 ↓

Analogs

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Popular Name: 1-[3-[[5-(3-bromophenyl)-4-methyl-1,1-dioxo-isothiazol-3-yl]amino]propyl]pyrrolidin-2-one 1-[3-[[5-(3-bromophenyl)-4-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) 2.46 5.77 -24.88 1 6 0 79 426.336 6 ↓

Parameters Provided:

ring.id = 82634
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 = 82634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=82634&filter.purchasability=annotated

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