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

Analogs

31823861
31823861
33947397
33947397
33947398
33947398
33947399
33947399
33947400
33947400

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5E)-2,5-bis[(1-ethylpyrazol-3-yl)methylene]cyclopentanone (2Z,5E)-2,5-bis[(1-ethylpyrazol-…

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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 10.12 -14.65 0 5 0 53 296.374 4 ↓

Analogs

38144393
38144393

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5E)-2,5-bis[(1,3-dimethylpyrazol-4-yl)methylene]cyclopentanone (2Z,5E)-2,5-bis[(1,3-dimethylpyr…

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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) 1.30 8.24 -15.36 0 5 0 53 296.374 2 ↓

Analogs

204411
204411

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5E)-2,5-bis[(1-methylpyrazol-3-yl)methylene]cyclopentanone (2Z,5E)-2,5-bis[(1-methylpyrazol…

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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 8.43 -15.51 0 5 0 53 268.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,5E)-2,5-bis[(1-methylquinolin-1-ium-6-yl)methylene]cyclopentanone (2E,5E)-2,5-bis[(1-methylquinoli…

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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) -3.81 15.87 -76.53 0 3 2 25 392.502 2 ↓

Analogs

61966127
61966127
17859784
17859784

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-bis(2-furylmethylene)cyclopentanone 2,5-bis(2-furylmethylene)cyclope…

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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) 2.62 8.13 -8.69 0 3 0 43 240.258 2 ↓

Analogs

28498018
28498018

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-2,5-bis[[4-(difluoromethoxy)-3-methoxy-phenyl]methylene]cyclopentanone (2Z,5Z)-2,5-bis[[4-(difluorometh…

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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) 4.87 10.76 -16.78 0 5 0 54 452.4 8 ↓

Analogs

39937920
39937920
360697
360697

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,5E)-2,5-bis(1,3-benzodioxol-5-ylmethylene)cyclopentanone (2E,5E)-2,5-bis(1,3-benzodioxol-…

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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) 4.24 8.6 -11.91 0 5 0 54 348.354 2 ↓

Parameters Provided:

ring.id = 235794
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 = 235794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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