UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]pyrrole-2,5-dione 1-[(1R)-1-(2,4-dimethylthiazol-5…

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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) 0.85 4.47 -10.38 0 4 0 52 236.296 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]pyrrole-2,5-dione 1-[(1S)-1-(2,4-dimethylthiazol-5…

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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) 0.85 4.49 -10.45 0 4 0 52 236.296 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[(1R)-1-(2,4-dimethylthiazol-5…

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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) 1.23 5.14 -9.48 0 4 0 52 250.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-3-methyl-pyrrole-2,5-dione 1-[(1S)-1-(2,4-dimethylthiazol-5…

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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) 1.23 5.16 -9.55 0 4 0 52 250.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methylthiazol-5-yl)methyl]pyrrole-2,5-dione 1-[(2-methylthiazol-5-yl)methyl]…

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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) 0.27 3.48 -10.41 0 4 0 52 208.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-[(2-methylthiazol-5-yl)methyl]pyrrole-2,5-dione 3-methyl-1-[(2-methylthiazol-5-y…

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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) 0.64 4.16 -9.46 0 4 0 52 222.269 2 ↓

Parameters Provided:

ring.id = 580768
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 = 580768 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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