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

Analogs

55626572
55626572

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridyl)ethanone 1-[4-[(1S)-1-(2-fluorophenyl)eth…

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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) 2.25 8.68 -12.53 0 4 0 36 341.43 4 ↓
Mid Mid (pH 6-8) 2.25 10.24 -50.25 1 4 1 38 342.438 4 ↓
Lo Low (pH 4.5-6) 2.25 10.68 -88.8 2 4 2 39 343.446 4 ↓

Analogs

55626572
55626572

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1R)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-(6-methyl-3-pyridyl)ethanone 1-[4-[(1R)-1-(2-fluorophenyl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.25 8.67 -12.92 0 4 0 36 341.43 4 ↓
Mid Mid (pH 6-8) 2.25 10.32 -49.81 1 4 1 38 342.438 4 ↓
Lo Low (pH 4.5-6) 2.25 10.76 -88.63 2 4 2 39 343.446 4 ↓

Parameters Provided:

ring.id = 503834
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 = 503834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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