UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37854731
37854731
37854732
37854732
37854773
37854773
37854774
37854774

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-morpholinylmethyl)-1,4-oxazepane 2-(4-morpholinylmethyl)-1,4-oxaz…

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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) -0.27 0.21 -42.21 2 4 1 38 201.29 2 ↓
Hi High (pH 8-9.5) -0.27 -1.15 -3.32 1 4 0 34 200.282 2 ↓
Lo Low (pH 4.5-6) -0.27 2.54 -101.56 3 4 2 40 202.298 2 ↓

Analogs

37854731
37854731
37854732
37854732
37854773
37854773
37854774
37854774

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-morpholinylmethyl)-1,4-oxazepane 2-(4-morpholinylmethyl)-1,4-oxaz…

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) -0.27 0.33 -40.24 2 4 1 38 201.29 2 ↓
Hi High (pH 8-9.5) -0.27 -0.91 -4 1 4 0 34 200.282 2 ↓
Lo Low (pH 4.5-6) -0.27 2.51 -97.89 3 4 2 40 202.298 2 ↓

Parameters Provided:

ring.id = 373591
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 = 373591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=373591&filter.purchasability=annotated

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