UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

69382524
69382524
69382530
69382530
41192385
41192385

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentanamine N-propyl-1-(4,5,6,7-tetrahydro-1…

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) 3.94 7.87 -35.61 2 2 1 29 265.446 4 ↓
Hi High (pH 8-9.5) 3.94 6.73 -4.25 1 2 0 25 264.438 4 ↓

Analogs

69382587
69382587
69382591
69382591

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentanamine N-isopropyl-1-(4,5,6,7-tetrahydr…

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) 3.74 7.49 -30.77 2 2 1 29 265.446 3 ↓
Hi High (pH 8-9.5) 3.74 6.47 -4.37 1 2 0 25 264.438 3 ↓

Parameters Provided:

ring.id = 521056
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 = 521056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521056&filter.purchasability=annotated

Embed Link to Results