UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-[[(2S)-2-piperidyl]methyl]pyrrolidin-3-yl]piperidine 1-[(3R)-1-[[(2S)-2-piperidyl]met…

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) 2.08 6.44 -83.75 3 3 2 24 253.434 3 ↓
Hi High (pH 8-9.5) 2.08 4.06 -35.9 2 3 1 23 252.426 3 ↓

Analogs

44679365
44679365
44679367
44679367
44679369
44679369
44679370
44679370

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1-[[(2S)-2-piperidyl]methyl]pyrrolidin-3-yl]piperidine 1-[(3S)-1-[[(2S)-2-piperidyl]met…

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) 2.08 6.47 -84.92 3 3 2 24 253.434 3 ↓
Hi High (pH 8-9.5) 2.08 4.31 -35.83 2 3 1 23 252.426 3 ↓

Parameters Provided:

ring.id = 326076
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 = 326076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=326076&filter.purchasability=annotated

Embed Link to Results