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

Analogs

37785456
37785456
46199861
46199861
31460945
31460945

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-5-(4-pyridylmethylamino)pyridin-2-one 1-(2-methoxyethyl)-5-(4-pyridylm…

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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) 0.55 4.16 -11.52 1 5 0 56 259.309 6 ↓
Lo Low (pH 4.5-6) 0.55 4.61 -45.33 2 5 1 57 260.317 6 ↓

Analogs

37785382
37785382
37785383
37785383
46199861
46199861

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-5-[[(1S)-1-(4-pyridyl)ethyl]amino]pyridin-2-one 1-(2-methoxyethyl)-5-[[(1S)-1-(4…

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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) 1.11 4.89 -11.8 1 5 0 56 273.336 6 ↓
Lo Low (pH 4.5-6) 1.11 5.34 -45.59 2 5 1 57 274.344 6 ↓

Analogs

37785382
37785382
37785383
37785383
46199861
46199861

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-5-[[(1R)-1-(4-pyridyl)ethyl]amino]pyridin-2-one 1-(2-methoxyethyl)-5-[[(1R)-1-(4…

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) 1.11 4.87 -11.75 1 5 0 56 273.336 6 ↓
Lo Low (pH 4.5-6) 1.11 5.33 -45.69 2 5 1 57 274.344 6 ↓

Parameters Provided:

ring.id = 149737
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 = 149737 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=149737&filter.purchasability=annotated

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