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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: 7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholino-8-propyl-chromen-4-one 7-[2-(4-methylpiperazin-1-yl)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) -0.51 6.16 -71.17 2 7 2 63 417.55 6 ↓
Hi High (pH 8-9.5) 3.08 5.61 -10.96 0 7 0 58 415.534 7 ↓
Mid Mid (pH 6-8) 3.08 7.98 -44.8 1 7 1 60 416.542 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,8-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholino-chromen-4-one 6,8-dimethyl-7-[2-(4-methylpiper…

Find On: PubMed — Wikipedia — Google

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2Y12-1-E Purinergic Receptor P2Y12 (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2Y12_HUMAN Q9H244 Purinergic Receptor P2Y12, Human 1400 0.28 Functional ≤ 10μM

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) -0.99 5.28 -71.36 2 7 2 63 403.523 4 ↓
Hi High (pH 8-9.5) 2.60 4.74 -10.81 0 7 0 58 401.507 5 ↓
Mid Mid (pH 6-8) 2.60 7.11 -44.57 1 7 1 60 402.515 5 ↓

Parameters Provided:

ring.id = 509213
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 = 509213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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