UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37340212
37340212
37340213
37340213

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[methyl-(4-methylcyclohexyl)amino]cycloheptanone (2R)-2-[methyl-(4-methylcyclohex…

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) 3.10 8.76 -32.82 1 2 1 22 238.395 2 ↓
Hi High (pH 8-9.5) 3.10 6.71 -4.9 0 2 0 20 237.387 2 ↓

Analogs

37340212
37340212
37340213
37340213

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[methyl-(4-methylcyclohexyl)amino]cycloheptanone (2S)-2-[methyl-(4-methylcyclohex…

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) 3.10 9 -33.84 1 2 1 22 238.395 2 ↓
Hi High (pH 8-9.5) 3.10 6.84 -5.21 0 2 0 20 237.387 2 ↓

Parameters Provided:

ring.id = 620572
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 = 620572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=620572&filter.purchasability=annotated

Embed Link to Results