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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: 4-ethyl-5-[[1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-piperidyl]methyl]-2-methyl-1,2,4-tri 4-ethyl-5-[[1-[(1-isopropyl-3,5-…

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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) 1.59 11.54 -51.44 1 7 1 62 375.541 6 ↓
Hi High (pH 8-9.5) 1.59 9.31 -15.01 0 7 0 61 374.533 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl]methyl]-4-ethyl-2-methyl-1,2,4-triazol-3-on 5-[[1-[(3,5-dimethyl-1H-pyrazol-…

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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) 0.79 8.85 -52.06 2 7 1 73 333.46 5 ↓
Hi High (pH 8-9.5) 0.79 6.63 -14.5 1 7 0 72 332.452 5 ↓

Parameters Provided:

ring.id = 534146
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 = 534146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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