UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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) 2.93 7.47 -20.52 1 7 0 86 370.434 4 ↓

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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) 2.97 7.92 -20.49 1 7 0 86 370.434 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)acetamide N-(3-chloro-4-fluoro-phenyl)-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) 2.88 6.81 -20.98 1 7 0 86 394.815 4 ↓

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylsulfanylphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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) 2.52 7.25 -20.52 1 7 0 86 388.474 5 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)acetamide N-(4-chlorophenyl)-2-(6-cyclopro…

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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) 2.78 6.76 -20.68 1 7 0 86 376.825 4 ↓

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(2,5-dimethylphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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) 2.93 7.75 -20.36 1 7 0 86 370.434 4 ↓

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(2,3-dimethylphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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) 2.91 7.64 -20.49 1 7 0 86 370.434 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)acetamide N-(3-chloro-4-methoxy-phenyl)-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) 2.77 6.08 -21.52 1 8 0 95 406.851 5 ↓

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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 8.5 -20.39 1 7 0 86 384.461 4 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)acetamide N-(5-chloro-2-methyl-phenyl)-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) 3.16 7.66 -22.93 1 7 0 86 390.852 4 ↓

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(2,4-dimethylphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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) 2.93 7.8 -21.27 1 7 0 86 370.434 4 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)acetamide N-(2-chloro-4-methyl-phenyl)-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) 3.16 7.52 -17.99 1 7 0 86 390.852 4 ↓

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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 4.85 -23.26 1 9 0 104 402.432 6 ↓

Analogs

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Popular Name: 2-(6-cyclopropyl-5,7-dioxo-isothiazolo[4,3-d]pyrimidin-4-yl)-N-(3,5-dimethylphenyl)acetamide 2-(6-cyclopropyl-5,7-dioxo-isoth…

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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) 2.93 7.57 -20.41 1 7 0 86 370.434 4 ↓

Parameters Provided:

ring.id = 563177
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 = 563177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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