UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[2-(4-ethylanilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(4-ethylanilino)-2-oxo-ethy…

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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) 1.05 3.73 -21.63 3 8 0 120 357.395 5 ↓

Analogs

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Popular Name: 6-[2-(2-ethylanilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(2-ethylanilino)-2-oxo-ethy…

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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) 1.01 3.96 -21.68 3 8 0 120 357.395 5 ↓

Analogs

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Popular Name: 6-[2-(3-methylanilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(3-methylanilino)-2-oxo-eth…

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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) 0.56 2.96 -21.7 3 8 0 120 343.368 4 ↓

Analogs

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Popular Name: 6-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(5-chloro-2-methoxy-anilino…

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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) 0.80 2.23 -21.92 3 9 0 129 393.812 5 ↓

Analogs

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Popular Name: 6-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(3-fluoro-4-methyl-anilino)…

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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) 0.68 2.99 -21.61 3 8 0 120 361.358 4 ↓

Analogs

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Popular Name: 6-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(3-chloro-4-fluoro-anilino)…

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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) 0.91 2.85 -22.31 3 8 0 120 381.776 4 ↓

Analogs

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Popular Name: 6-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(2,5-dimethylanilino)-2-oxo…

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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) 0.97 3.81 -21.78 3 8 0 120 357.395 4 ↓

Analogs

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Popular Name: 7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]isothiazolo[4,5-d]pyrimidine-3-carboxamide 7-oxo-6-[2-oxo-2-(2,4,6-trimethy…

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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) 0.41 4.58 -21.5 3 8 0 120 371.422 4 ↓

Analogs

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Popular Name: 6-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(2,6-dimethylanilino)-2-oxo…

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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) 0.00 4.15 -21.91 3 8 0 120 357.395 4 ↓

Analogs

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Popular Name: 6-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamide 6-[2-(3-chloro-2-methyl-anilino)…

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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) 1.17 3.58 -21.08 3 8 0 120 377.813 4 ↓

Parameters Provided:

ring.id = 564247
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 = 564247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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