UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(morpholinomethyl)-1-piperidyl]methylBLAHone [4-(morpholinomethyl)-1-piperidy…

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) 1.82 7.32 -41.37 1 5 1 37 334.484 4 ↓
Hi High (pH 8-9.5) 1.82 4.93 -7.32 0 5 0 36 333.476 4 ↓
Mid Mid (pH 6-8) 1.82 9.32 -108.11 2 5 2 38 335.492 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(morpholinomethyl)-1-piperidyl]methylBLAHone [4-(morpholinomethyl)-1-piperidy…

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) 1.82 7.46 -40.36 1 5 1 37 334.484 4 ↓
Hi High (pH 8-9.5) 1.82 5.06 -5.91 0 5 0 36 333.476 4 ↓
Mid Mid (pH 6-8) 1.82 9.52 -105.24 2 5 2 38 335.492 4 ↓

Parameters Provided:

ring.id = 498214
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 = 498214 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=498214&filter.purchasability=annotated

Embed Link to Results