UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43591707
43591707
43591709
43591709
43591711
43591711
43591717
43591717
43591718
43591718

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Popular Name: (6R)-2,2,6-trimethyl-4-[3-[(3S)-3-piperidyl]propyl]morpholine (6R)-2,2,6-trimethyl-4-[3-[(3S)-…

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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) 2.11 5.37 -38.99 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.11 7.33 -89.13 3 3 2 30 256.434 4 ↓

Analogs

43591707
43591707
43591709
43591709
43591711
43591711
43591717
43591717
43591718
43591718

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2,2,6-trimethyl-4-[3-[(3S)-3-piperidyl]propyl]morpholine (6S)-2,2,6-trimethyl-4-[3-[(3S)-…

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) 2.11 5.36 -39.06 2 3 1 29 255.426 4 ↓
Mid Mid (pH 6-8) 2.11 7.33 -89.21 3 3 2 30 256.434 4 ↓

Parameters Provided:

ring.id = 568174
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 = 568174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=568174&filter.purchasability=annotated

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