UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19260222
19260222
23071124
23071124
35765922
35765922
35765924
35765924

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N'-cyclopentyl-N'-methyl-ethane-1,2-diamine (1R)-1-(1,3-benzodioxol-5-yl)-N'…

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) 0.75 5.72 -41.72 3 4 1 49 263.361 4 ↓
Mid Mid (pH 6-8) 0.75 6.06 -137.39 4 4 2 51 264.369 4 ↓

Analogs

19260222
19260222
23071124
23071124
35765922
35765922
35765924
35765924

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N'-cyclopentyl-N'-methyl-ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-yl)-N'…

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) 0.75 6.09 -38.45 3 4 1 49 263.361 4 ↓
Mid Mid (pH 6-8) 0.75 5.75 -129.62 4 4 2 51 264.369 4 ↓

Parameters Provided:

ring.id = 144635
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 = 144635 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=144635&filter.purchasability=annotated

Embed Link to Results