UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21710628
21710628

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[2-(2-chlorophenoxy)ethyl…

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) 3.71 9.85 -14.07 0 5 0 50 406.935 6 ↓

Analogs

21710628
21710628

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[2-(2-chlorophenoxy)ethyl…

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) 3.71 9.49 -11.24 0 5 0 50 406.935 6 ↓

Analogs

39685219
39685219
39685220
39685220
39685489
39685489
39685490
39685490
39688344
39688344

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[2-(4-fluorophenoxy)ethyl…

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) 3.24 9.36 -12.89 0 5 0 50 390.48 6 ↓

Analogs

39685219
39685219
39685220
39685220
39685489
39685489
39685490
39685490
39688344
39688344

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[2-(4-fluorophenoxy)ethyl…

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) 3.24 9.75 -13.22 0 5 0 50 390.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[2-(3,5-dimethylphenoxy)e…

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) 3.91 10.61 -13.68 0 5 0 50 400.544 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[2-(3,5-dimethylphenoxy)e…

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) 3.91 10.26 -10.96 0 5 0 50 400.544 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-[2-(2-fluorophenoxy)ethyl…

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) 3.20 9.36 -16.68 0 5 0 50 390.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-[2-(2-fluorophenoxy)ethyl…

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) 3.20 9 -12.4 0 5 0 50 390.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-methyl-N-[2-(3-methylphen…

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) 3.51 9.66 -11.37 0 5 0 50 386.517 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-methyl-N-[2-(3-methylphen…

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) 3.51 9.61 -10.84 0 5 0 50 386.517 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3R)-N-methyl-N-[2-(2-methylphen…

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) 3.48 9.72 -11.1 0 5 0 50 386.517 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (3S)-N-methyl-N-[2-(2-methylphen…

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) 3.48 9.66 -10.75 0 5 0 50 386.517 6 ↓

Parameters Provided:

ring.id = 132911
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 = 132911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=132911&filter.purchasability=annotated

Embed Link to Results