UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15936006
15936006
35526847
35526847
35526848
35526848
35526853
35526853
35526854
35526854

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-N'-[(4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide (3R)-N-benzyl-N'-[(4-fluoropheny…

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) 3.39 8.51 -10.9 2 5 0 61 369.44 5 ↓

Analogs

35526847
35526847
35526848
35526848
35526853
35526853
35526854
35526854
65058970
65058970

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-benzyl-N'-[(4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide (3S)-N-benzyl-N'-[(4-fluoropheny…

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) 3.39 8.49 -10.78 2 5 0 61 369.44 5 ↓

Analogs

15936012
15936012
65059171
65059171
65059172
65059172
3981715
3981715

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,N'-dibenzylpiperidine-1,3-dicarboxamide (3R)-N,N'-dibenzylpiperidine-1,3…

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) 3.22 8.43 -10.3 2 5 0 61 351.45 5 ↓

Analogs

65059171
65059171
65059172
65059172
15936011
15936011

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,N'-dibenzylpiperidine-1,3-dicarboxamide (3S)-N,N'-dibenzylpiperidine-1,3…

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) 3.22 8.43 -10.35 2 5 0 61 351.45 5 ↓

Parameters Provided:

ring.id = 254345
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 = 254345 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=254345&filter.purchasability=annotated

Embed Link to Results