UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (8aR)-2-(benzenesulfonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,5-a]pyrazin-6-one (8aR)-2-(benzenesulfonyl)-1,3,4,…

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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) 0.85 3.42 -15.29 0 5 0 58 280.349 2 ↓

Analogs

26144833
26144833

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Popular Name: (7R,8aR)-2-(4-fluorophenyl)sulfonyl-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,5-a]pyrazin-6-one (7R,8aR)-2-(4-fluorophenyl)sulfo…

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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) 2.39 4.07 -14.8 0 5 0 58 312.366 2 ↓

Analogs

26145209
26145209

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Popular Name: (7R,8aR)-2-(4-fluorobenzoyl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,5-a]pyrazin-6-one (7R,8aR)-2-(4-fluorobenzoyl)-7-m…

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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) 2.04 6.36 -11.65 0 4 0 41 276.311 1 ↓

Analogs

26144182
26144182

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Popular Name: (7S,8aR)-2-(4-fluorophenyl)sulfonyl-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,5-a]pyrazin-6-one (7S,8aR)-2-(4-fluorophenyl)sulfo…

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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) 2.39 4.04 -14.84 0 5 0 58 312.366 2 ↓

Analogs

26152222
26152222

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Popular Name: (7R,8aR)-2-(benzenesulfonyl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,5-a]pyrazin-6-one (7R,8aR)-2-(benzenesulfonyl)-7-m…

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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) 2.23 4 -15.07 0 5 0 58 294.376 2 ↓

Analogs

26144596
26144596

Draw Identity 99% 90% 80% 70%

Popular Name: (7S,8aR)-2-(4-fluorobenzoyl)-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,5-a]pyrazin-6-one (7S,8aR)-2-(4-fluorobenzoyl)-7-m…

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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) 2.04 6.45 -14.07 0 4 0 41 276.311 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-benzoyl-1,3,4,7,8,8a-hexahydropyrrolo[1,5-a]pyrazin-6-one (8aR)-2-benzoyl-1,3,4,7,8,8a-hex…

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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) 0.51 5.64 -12.26 0 4 0 41 244.294 1 ↓

Parameters Provided:

ring.id = 148687
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 = 148687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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