UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37985056
37985056
37985057
37985057
45629529
45629529
45629530
45629530
45630664
45630664

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclobutyl-N-[[(1R)-cyclohex-3-en-1-yl]methyl]methanamine 1-cyclobutyl-N-[[(1R)-cyclohex-3…

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) 2.59 7.56 -39.53 2 1 1 17 180.315 4 ↓

Analogs

37985056
37985056
37985057
37985057
44656439
44656439
44656442
44656442
45629529
45629529

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclobutyl-N-[[(1S)-cyclohex-3-en-1-yl]methyl]methanamine 1-cyclobutyl-N-[[(1S)-cyclohex-3…

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) 2.59 7.56 -39.51 2 1 1 17 180.315 4 ↓

Parameters Provided:

ring.id = 543811
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 = 543811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=543811&filter.purchasability=annotated

Embed Link to Results