UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44722683
44722683
44722686
44722686
44722688
44722688
44722691
44722691
44723058
44723058

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1-methyl-4-piperidyl)amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[(1-methyl-4-piperidyl)am…

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) 0.60 4.7 -40.41 2 4 1 37 240.371 3 ↓
Mid Mid (pH 6-8) 0.60 3.32 -36.45 2 4 1 40 240.371 3 ↓

Analogs

44722546
44722546
44722548
44722548
44722551
44722551
44722552
44722552
44722683
44722683

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1-methyl-4-piperidyl)amino]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[(1-methyl-4-piperidyl)am…

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) 0.60 4.75 -40.8 2 4 1 37 240.371 3 ↓
Mid Mid (pH 6-8) 0.60 3.38 -36.51 2 4 1 40 240.371 3 ↓

Analogs

44650826
44650826
44723058
44723058
44723061
44723061

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1-methyl-4-piperidyl)amino]-1-pyrrolidin-1-yl-ethanone 2-[(1-methyl-4-piperidyl)amino]-…

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) 0.27 5.42 -105.09 3 4 2 41 227.352 3 ↓
Hi High (pH 8-9.5) 0.27 4.24 -40.33 2 4 1 37 226.344 3 ↓
Mid Mid (pH 6-8) 0.27 3.04 -40.01 2 4 1 40 226.344 3 ↓

Parameters Provided:

ring.id = 47279
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 = 47279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=47279&filter.purchasability=annotated

Embed Link to Results