UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44677153
44677153
44677154
44677154
44677155
44677155
44677156
44677156

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

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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) 3.35 8.81 -39.75 2 3 1 34 273.4 5 ↓
Hi High (pH 8-9.5) 3.35 6.37 -7.82 1 3 0 32 272.392 5 ↓

Analogs

44677153
44677153
44677154
44677154
44677155
44677155
44677156
44677156

Draw Identity 99% 90% 80% 70%

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

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) 3.35 8.92 -40.02 2 3 1 34 273.4 5 ↓
Hi High (pH 8-9.5) 3.35 6.54 -8.43 1 3 0 32 272.392 5 ↓

Parameters Provided:

ring.id = 429852
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 = 429852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=429852&filter.purchasability=annotated

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