UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(5-chloro-2-thienyl)methyl]pyrrole-2,5-dione 1-[(5-chloro-2-thienyl)methyl]py…

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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) 2.08 5.21 -7.72 0 3 0 39 227.672 2 ↓

Analogs

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Popular Name: 1-[(5-chloro-2-thienyl)methyl]-3-methyl-pyrrole-2,5-dione 1-[(5-chloro-2-thienyl)methyl]-3…

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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 5.89 -6.85 0 3 0 39 241.699 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-thienyl)propyl]pyrrole-2,5-dione 1-[(1S)-1-(2-thienyl)propyl]pyrr…

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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 6.13 -8.09 0 3 0 39 221.281 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-thienyl)propyl]pyrrole-2,5-dione 1-[(1R)-1-(2-thienyl)propyl]pyrr…

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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 6.12 -8.06 0 3 0 39 221.281 3 ↓

Analogs

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Popular Name: 3-methyl-1-[(1S)-1-(2-thienyl)propyl]pyrrole-2,5-dione 3-methyl-1-[(1S)-1-(2-thienyl)pr…

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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 6.8 -7.33 0 3 0 39 235.308 3 ↓

Analogs

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Popular Name: 3-methyl-1-[(1R)-1-(2-thienyl)propyl]pyrrole-2,5-dione 3-methyl-1-[(1R)-1-(2-thienyl)pr…

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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 6.8 -7.32 0 3 0 39 235.308 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-thienyl)butyl]pyrrole-2,5-dione 1-[(1S)-1-(2-thienyl)butyl]pyrro…

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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) 2.70 6.9 -7.95 0 3 0 39 235.308 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-thienyl)butyl]pyrrole-2,5-dione 1-[(1R)-1-(2-thienyl)butyl]pyrro…

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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) 2.70 6.9 -7.99 0 3 0 39 235.308 4 ↓

Analogs

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Popular Name: 3-methyl-1-[(1S)-1-(2-thienyl)butyl]pyrrole-2,5-dione 3-methyl-1-[(1S)-1-(2-thienyl)bu…

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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) 3.08 7.57 -7.2 0 3 0 39 249.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-[(1R)-1-(2-thienyl)butyl]pyrrole-2,5-dione 3-methyl-1-[(1R)-1-(2-thienyl)bu…

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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) 3.08 7.57 -7.18 0 3 0 39 249.335 4 ↓

Parameters Provided:

ring.id = 529186
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 = 529186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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