UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44677153
44677153
44677154
44677154
44677155
44677155
44677156
44677156

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Popular Name: N-cyclopropyl-N-ethyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide N-cyclopropyl-N-ethyl-2-[(3R)-3-…

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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) 2.63 9.92 -39.41 1 3 1 25 273.4 5 ↓
Hi High (pH 8-9.5) 2.63 7.57 -7.95 0 3 0 24 272.392 5 ↓

Analogs

44677153
44677153
44677154
44677154
44677155
44677155
44677156
44677156

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide N-cyclopropyl-N-ethyl-2-[(3S)-3-…

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) 2.63 9.82 -39.37 1 3 1 25 273.4 5 ↓
Hi High (pH 8-9.5) 2.63 7.61 -8.21 0 3 0 24 272.392 5 ↓

Parameters Provided:

ring.id = 490886
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 = 490886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=490886&filter.purchasability=annotated

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