UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41946163
41946163

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Popular Name: (5R)-5-[3-(4-isobutylpiperazin-1-yl)-3-oxo-propyl]imidazolidine-2,4-dione (5R)-5-[3-(4-isobutylpiperazin-1…

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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) -0.18 2.61 -54.83 3 7 1 83 297.379 5 ↓
Hi High (pH 8-9.5) 0.01 -1.97 -48.81 1 7 -1 88 295.363 5 ↓
Mid Mid (pH 6-8) -0.18 0.69 -15.96 2 7 0 82 296.371 5 ↓

Analogs

41946160
41946160

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Popular Name: (5S)-5-[3-(4-isobutylpiperazin-1-yl)-3-oxo-propyl]imidazolidine-2,4-dione (5S)-5-[3-(4-isobutylpiperazin-1…

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) -0.18 2.61 -55.18 3 7 1 83 297.379 5 ↓
Hi High (pH 8-9.5) 0.01 -1.97 -48.74 1 7 -1 88 295.363 5 ↓
Mid Mid (pH 6-8) -0.18 0.69 -15.92 2 7 0 82 296.371 5 ↓

Parameters Provided:

ring.id = 340950
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 = 340950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=340950&filter.purchasability=annotated

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