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

Analogs

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

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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) 2.51 6.83 -51.77 2 5 1 66 248.306 2 ↓
Hi High (pH 8-9.5) 2.51 5.4 -6.68 1 5 0 61 247.298 2 ↓

Analogs

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Popular Name: 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-chloro-benzonitrile 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…

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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) 2.54 6.97 -47.16 2 3 1 44 248.737 1 ↓
Hi High (pH 8-9.5) 2.54 5.54 -4.8 1 3 0 39 247.729 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-chloro-benzamide 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…

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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) 1.60 3.85 -42.87 4 4 1 63 266.752 2 ↓
Hi High (pH 8-9.5) 1.60 2.41 -5.95 3 4 0 58 265.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-6-chloro-benzonitrile 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…

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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) 2.51 6.89 -49.34 2 3 1 44 248.737 1 ↓
Hi High (pH 8-9.5) 2.51 5.45 -7.12 1 3 0 39 247.729 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-6-chloro-benzamide 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…

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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) 1.58 3.15 -47.24 4 4 1 63 266.752 2 ↓
Hi High (pH 8-9.5) 1.58 1.72 -9.17 3 4 0 58 265.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-4-chloro-benzonitrile 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…

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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) 2.54 6.98 -43.83 2 3 1 44 248.737 1 ↓
Hi High (pH 8-9.5) 2.54 5.55 -4.6 1 3 0 39 247.729 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-4-chloro-benzamide 2-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…

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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) 1.60 3.84 -40.98 4 4 1 63 266.752 2 ↓
Hi High (pH 8-9.5) 1.60 2.4 -6.91 3 4 0 58 265.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-chloro-benzonitrile 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…

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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) 2.54 7 -47.24 2 3 1 44 248.737 1 ↓
Hi High (pH 8-9.5) 2.54 5.57 -4.43 1 3 0 39 247.729 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-chloro-benzamide 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexah…

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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) 1.60 3.41 -45.9 4 4 1 63 266.752 2 ↓
Hi High (pH 8-9.5) 1.60 1.98 -6.76 3 4 0 58 265.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.02 7.75 -57.64 2 8 1 111 279.276 3 ↓

Parameters Provided:

ring.id = 6075
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 = 6075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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