UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43232071
43232071
43232074
43232074
43232160
43232160
43232163
43232163
43232166
43232166

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylpiperazin-1-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone 1-(4-acetylpiperazin-1-yl)-2-[(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) -0.69 5.81 -41.22 1 7 1 63 320.417 3 ↓
Hi High (pH 8-9.5) -0.69 3.67 -14.03 0 7 0 62 319.409 3 ↓

Analogs

43232071
43232071
43232074
43232074
43232160
43232160
43232163
43232163
43232166
43232166

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylpiperazin-1-yl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone 1-(4-acetylpiperazin-1-yl)-2-[(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) -0.69 6.49 -46.64 1 7 1 63 320.417 3 ↓
Hi High (pH 8-9.5) -0.69 4.53 -17.11 0 7 0 62 319.409 3 ↓

Parameters Provided:

ring.id = 507934
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 = 507934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=507934&filter.purchasability=annotated

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