UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20814615
20814615
34638468
34638468
19939212
19939212

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Popular Name: 2-[4-(dimethyl-morpholino-BLAHyl)piperazin-1-yl]ethanol 2-[4-(dimethyl-morpholino-BLAHyl…

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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) 2.14 3.56 -10.14 1 9 0 87 484.626 4 ↓
Mid Mid (pH 6-8) 2.14 5.93 -44.13 2 9 1 88 485.634 4 ↓

Analogs

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Popular Name: 2-[4-(dimethyl-methylsulfanyl-morpholino-BLAHyl)piperazin-1-yl]ethanol 2-[4-(dimethyl-methylsulfanyl-mo…

Find On: PubMed — Wikipedia — Google

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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) 3.62 4 -11.45 1 9 0 87 530.72 5 ↓
Mid Mid (pH 6-8) 3.62 6.4 -41.64 2 9 1 88 531.728 5 ↓

Parameters Provided:

ring.id = 71412
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 = 71412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=71412&filter.purchasability=annotated

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