UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37824020
37824020

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-(1-piperidyl)ethyl]piperidine-2-carboxamide (2S)-N-[2-(1-piperidyl)ethyl]pip…

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) 1.04 4.89 -88.94 4 4 2 50 241.379 4 ↓
Hi High (pH 8-9.5) 1.04 3.54 -40.9 3 4 1 46 240.371 4 ↓

Analogs

37824020
37824020

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(1-piperidyl)ethyl]piperidine-2-carboxamide (2R)-N-[2-(1-piperidyl)ethyl]pip…

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) 1.04 4.89 -89.02 4 4 2 50 241.379 4 ↓
Hi High (pH 8-9.5) 1.04 3.5 -39.93 3 4 1 46 240.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-6-methyl-N-[2-(1-piperidyl)ethyl]piperidine-2-carboxamide (2R,6R)-6-methyl-N-[2-(1-piperid…

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) 1.37 5.58 -88.09 4 4 2 50 255.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-6-methyl-N-[2-(1-piperidyl)ethyl]piperidine-2-carboxamide (2R,6S)-6-methyl-N-[2-(1-piperid…

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) 1.37 5.27 -89.26 4 4 2 50 255.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-6-methyl-N-[2-(1-piperidyl)ethyl]piperidine-2-carboxamide (2S,6R)-6-methyl-N-[2-(1-piperid…

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) 1.37 5.27 -89.23 4 4 2 50 255.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-6-methyl-N-[2-(1-piperidyl)ethyl]piperidine-2-carboxamide (2S,6S)-6-methyl-N-[2-(1-piperid…

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) 1.37 5.58 -88.01 4 4 2 50 255.406 4 ↓

Parameters Provided:

ring.id = 322816
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 = 322816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=322816&filter.purchasability=annotated

Embed Link to Results