UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-pyridylmethylamino)-1-pyrrolidin-1-yl-propan-1-one 3-(4-pyridylmethylamino)-1-pyrro…

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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) 0.23 5.02 -52.67 2 4 1 50 234.323 5 ↓
Mid Mid (pH 6-8) 0.23 3.6 -9.98 1 4 0 45 233.315 5 ↓

Analogs

37823979
37823979
37823980
37823980
37823997
37823997
37823998
37823998
37824009
37824009

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Popular Name: 3-[[(1R)-1-(4-pyridyl)ethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1R)-1-(4-pyridyl)ethyl]amin…

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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) 0.79 5.76 -51.89 2 4 1 50 248.35 5 ↓
Mid Mid (pH 6-8) 0.79 4.52 -10.5 1 4 0 45 247.342 5 ↓

Analogs

37823979
37823979
37823980
37823980
37823997
37823997
37823998
37823998
37824009
37824009

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-(4-pyridyl)ethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1S)-1-(4-pyridyl)ethyl]amin…

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) 0.79 5.77 -51.83 2 4 1 50 248.35 5 ↓
Mid Mid (pH 6-8) 0.79 4.48 -9.53 1 4 0 45 247.342 5 ↓

Parameters Provided:

ring.id = 24904
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 = 24904 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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