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

Analogs

4079609
4079609
6493467
6493467
8454865
8454865
13143474
13143474
20602311
20602311

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Popular Name: (Z)-(1-ethyl-3-methyl-pyrazol-4-yl)methylene-keto-methyl-BLAHcarboxylic-acid-methyl-ester (Z)-(1-ethyl-3-methyl-pyrazol-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) 3.95 7.52 -13.01 0 8 0 88 438.509 4 ↓

Analogs

4436486
4436486
6503672
6503672
8454349
8454349
17102250
17102250
647918
647918

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Popular Name: (E)-(1-ethyl-5-methyl-pyrazol-4-yl)methylene-keto-methyl-BLAHcarboxylic-acid-methyl-ester (E)-(1-ethyl-5-methyl-pyrazol-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) 3.95 7.61 -16.7 0 8 0 88 438.509 4 ↓

Analogs

4501436
4501436
4501437
4501437

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Popular Name: (Z)-(1-ethylpyrazol-4-yl)methylene-keto-methyl-BLAHcarboxylic-acid-methyl-ester (Z)-(1-ethylpyrazol-4-yl)methyle…

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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) 3.73 6.87 -16.69 0 8 0 88 424.482 4 ↓

Analogs

4501434
4501434
4501435
4501435
6490298
6490298

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Popular Name: (Z)-acetyl-[(1-ethylpyrazol-4-yl)methylene]-methyl-BLAHone (Z)-acetyl-[(1-ethylpyrazol-4-yl…

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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) 3.42 -2.31 -18.01 0 7 0 78 408.483 3 ↓

Analogs

6525857
6525857

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Popular Name: (Z)-methyl-[(1-methylpyrazol-4-yl)methylene]BLAHone (Z)-methyl-[(1-methylpyrazol-4-y…

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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) 3.39 -2.86 -14.46 0 6 0 61 352.419 1 ↓

Parameters Provided:

ring.id = 237967
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 = 237967 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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