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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36265704
36265704
36266481
36266481
36266478
36266478
36266479
36266479

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,6aS)-1-[(5-bromo-3-pyridyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (3aS,6aS)-1-[(5-bromo-3-pyridyl)…

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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) 1.27 1.59 -48.36 2 5 1 67 333.231 2 ↓

Analogs

36266479
36266479
36266480
36266480
36266481
36266481
36266478
36266478
36265704
36265704

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,6aR)-1-[(5-bromo-3-pyridyl)sulfonyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrro (2R,3aR,6aR)-1-[(5-bromo-3-pyrid…

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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) 2.50 2.27 -50.18 2 5 1 67 347.258 2 ↓

Analogs

36266479
36266479
36266480
36266480
36266481
36266481
36266478
36266478
36265704
36265704

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,6aR)-1-[(5-bromo-3-pyridyl)sulfonyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrro (2S,3aR,6aR)-1-[(5-bromo-3-pyrid…

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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) 2.50 2.33 -47.93 2 5 1 67 347.258 2 ↓

Analogs

36266479
36266479
36266480
36266480
36266481
36266481
36266478
36266478
36265704
36265704

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,6aR)-1-[(5-bromo-3-pyridyl)sulfonyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrro (2R,3aS,6aR)-1-[(5-bromo-3-pyrid…

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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) 2.50 1.93 -48.66 2 5 1 67 347.258 2 ↓

Analogs

36266479
36266479
36266480
36266480
36266481
36266481
36266478
36266478
36265704
36265704

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,6aR)-1-[(5-bromo-3-pyridyl)sulfonyl]-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrro (2S,3aS,6aR)-1-[(5-bromo-3-pyrid…

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Activity (Go SEA)

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) 2.50 2.39 -49.02 2 5 1 67 347.258 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,6aS)-1-[(6-nitro-3-pyridyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (3aS,6aS)-1-[(6-nitro-3-pyridyl)…

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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) 0.62 2.7 -53.66 2 8 1 113 299.332 3 ↓
Hi High (pH 8-9.5) 0.62 1.28 -12.2 1 8 0 108 298.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,6aR)-2-methyl-1-[(6-nitro-3-pyridyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrro (2R,3aR,6aR)-2-methyl-1-[(6-nitr…

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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) 1.84 3.14 -53.69 2 8 1 113 313.359 3 ↓
Hi High (pH 8-9.5) 1.84 1.7 -11.65 1 8 0 108 312.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,6aR)-2-methyl-1-[(6-nitro-3-pyridyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrro (2S,3aR,6aR)-2-methyl-1-[(6-nitr…

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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) 1.84 3.44 -54.61 2 8 1 113 313.359 3 ↓
Hi High (pH 8-9.5) 1.84 1.99 -11.83 1 8 0 108 312.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,6aR)-2-methyl-1-[(6-nitro-3-pyridyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrro (2R,3aS,6aR)-2-methyl-1-[(6-nitr…

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Activity (Go SEA)

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) 1.84 3.03 -53.21 2 8 1 113 313.359 3 ↓
Hi High (pH 8-9.5) 1.84 1.58 -11.36 1 8 0 108 312.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,6aR)-2-methyl-1-[(6-nitro-3-pyridyl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrro (2S,3aS,6aR)-2-methyl-1-[(6-nitr…

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Activity (Go SEA)

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) 1.84 3.5 -54.3 2 8 1 113 313.359 3 ↓
Hi High (pH 8-9.5) 1.84 2.04 -11.94 1 8 0 108 312.351 3 ↓

Parameters Provided:

ring.id = 6647
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 = 6647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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