UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(4-methylpiperidine-4-carbonyl…

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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) -0.81 -0.17 -48.6 4 7 1 95 295.363 1 ↓
Hi High (pH 8-9.5) -0.62 -2.82 -65.96 3 7 0 101 294.355 1 ↓

Analogs

48404671
48404671
32904501
32904501
11694020
11694020
17268925
17268925

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(piperidine-4-carbonyl)-1,3,8-…

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) -1.05 -0.07 -54.37 4 7 1 95 281.336 1 ↓
Hi High (pH 8-9.5) -0.86 -2.7 -74.8 3 7 0 101 280.328 1 ↓

Parameters Provided:

ring.id = 287372
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = bgt
iocnl3 = legacy
iosrct = trackref
iid = 191540506

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 = 287372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=287372&filter.purchasability=annotated

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