UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45662802
45662802
45662805
45662805
45662807
45662807
45662809
45662809

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1,1-dimethyl-2-[(2R)-2-(2-pyridyl)pyrrolidin-1-yl]ethyl]morpholine 4-[1,1-dimethyl-2-[(2R)-2-(2-pyr…

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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) 1.84 7.85 -29.38 1 4 1 30 290.431 4 ↓
Hi High (pH 8-9.5) 1.84 4.2 -4.9 0 4 0 29 289.423 4 ↓
Lo Low (pH 4.5-6) 1.84 8.24 -100.11 2 4 2 31 291.439 4 ↓

Analogs

45662802
45662802
45662805
45662805
45662807
45662807
45662809
45662809

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1,1-dimethyl-2-[(2S)-2-(2-pyridyl)pyrrolidin-1-yl]ethyl]morpholine 4-[1,1-dimethyl-2-[(2S)-2-(2-pyr…

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) 1.84 6.55 -29.67 1 4 1 30 290.431 4 ↓
Hi High (pH 8-9.5) 1.84 3.94 -4.05 0 4 0 29 289.423 4 ↓
Lo Low (pH 4.5-6) 1.84 8.34 -94.99 2 4 2 31 291.439 4 ↓

Parameters Provided:

ring.id = 530198
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 = 530198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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