UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39230230
39230230
39230231
39230231
39230444
39230444

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-morpholino-pyridine-3-carboxamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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) 1.78 7.78 -46.45 2 7 1 68 385.488 7 ↓
Mid Mid (pH 6-8) 1.78 5.22 -13 1 7 0 67 384.48 7 ↓
Lo Low (pH 4.5-6) 1.78 8.24 -89.58 3 7 2 69 386.496 7 ↓

Analogs

39230230
39230230
39230231
39230231
39230444
39230444

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-morpholino-pyridine-3-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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) 1.78 7.77 -46.93 2 7 1 68 385.488 7 ↓
Mid Mid (pH 6-8) 1.78 5.33 -11.26 1 7 0 67 384.48 7 ↓
Lo Low (pH 4.5-6) 1.78 8.22 -90.09 3 7 2 69 386.496 7 ↓

Parameters Provided:

ring.id = 26996
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 = 26996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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