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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-ethylcyclohexyl)methyl]pyrrole-2,5-dione 1-[(4-ethylcyclohexyl)methyl]pyr…

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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) 2.53 6.89 -6.86 0 3 0 39 221.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-ethylcyclohexyl)methyl]-3-methyl-pyrrole-2,5-dione 1-[(4-ethylcyclohexyl)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) 2.91 7.56 -6.07 0 3 0 39 235.327 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclohexylethyl]pyrrole-2,5-dione 1-[(1S)-1-cyclohexylethyl]pyrrol…

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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) 2.44 6.69 -6.89 0 3 0 39 207.273 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylethyl]pyrrole-2,5-dione 1-[(1R)-1-cyclohexylethyl]pyrrol…

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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) 2.44 6.6 -6.96 0 3 0 39 207.273 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-cyclohexylethyl]-3-methyl-pyrrole-2,5-dione 1-[(1S)-1-cyclohexylethyl]-3-met…

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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) 2.82 7.02 -5.99 0 3 0 39 221.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylethyl]-3-methyl-pyrrole-2,5-dione 1-[(1R)-1-cyclohexylethyl]-3-met…

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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) 2.82 7.29 -6.22 0 3 0 39 221.3 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-cyclohexylpropyl]pyrrole-2,5-dione 1-[(1S)-1-cyclohexylpropyl]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) 2.94 7.67 -6.75 0 3 0 39 221.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylpropyl]pyrrole-2,5-dione 1-[(1R)-1-cyclohexylpropyl]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) 2.94 7.75 -6.68 0 3 0 39 221.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-cyclohexylpropyl]-3-methyl-pyrrole-2,5-dione 1-[(1S)-1-cyclohexylpropyl]-3-me…

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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) 3.32 8.34 -6.03 0 3 0 39 235.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylpropyl]-3-methyl-pyrrole-2,5-dione 1-[(1R)-1-cyclohexylpropyl]-3-me…

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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) 3.32 8.34 -6.02 0 3 0 39 235.327 3 ↓

Analogs

42864536
42864536
42864539
42864539
42864542
42864542
42864545
42864545
44518901
44518901

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclohexylmethyl)pyrrole-2,5-dione 1-(cyclohexylmethyl)pyrrole-2,5-…

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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 5.64 -6.97 0 3 0 39 193.246 2 ↓

Analogs

42864547
42864547
42864550
42864550
42864552
42864552
42864555
42864555
44509318
44509318

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclohexylmethyl)-3-methyl-pyrrole-2,5-dione 1-(cyclohexylmethyl)-3-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) 2.45 6.33 -6.24 0 3 0 39 207.273 2 ↓

Parameters Provided:

ring.id = 14371
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 = 14371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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