UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (8aR)-2-(2-thienylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (8aR)-2-(2-thienylsulfonyl)-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) 1.48 4.42 -42.01 1 4 1 42 273.403 2 ↓

Analogs

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Popular Name: (8aR)-2-[(5-bromo-2-thienyl)sulfonyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (8aR)-2-[(5-bromo-2-thienyl)sulf…

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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) 2.41 5.19 -41.33 1 4 1 42 352.299 2 ↓

Analogs

37238774
37238774
37238769
37238769
37238705
37238705
37238784
37238784
37238791
37238791

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Popular Name: 5-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3-methyl-thiophene-2-carbox 5-[[(8aR)-3,4,6,7,8,8a-hexahydro…

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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) 1.67 5.63 -68.21 1 6 0 82 330.431 3 ↓
Mid Mid (pH 6-8) 1.67 3.51 -46.22 0 6 -1 81 329.423 3 ↓

Analogs

21788915
21788915
21788918
21788918

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Popular Name: 2-[5-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-2-thienyl]acetic 2-[5-[[(8aR)-3,4,6,7,8,8a-hexahy…

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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) 1.14 5.9 -70.38 1 6 0 82 330.431 4 ↓
Mid Mid (pH 6-8) 1.14 3.77 -46.62 0 6 -1 81 329.423 4 ↓

Analogs

20007933
20007933
20007936
20007936

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-3-carboxylic 5-[[(8aR)-3,4,6,7,8,8a-hexahydro…

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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) 0.98 4.94 -69.93 1 6 0 82 316.404 3 ↓
Mid Mid (pH 6-8) 0.98 2.81 -50.48 0 6 -1 81 315.396 3 ↓

Parameters Provided:

ring.id = 232673
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 = 232673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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