UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11815586
11815586
39637747
39637747
39637748
39637748
39638811
39638811
39638812
39638812

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-2,3-dimethoxy-N-methyl-benzamide N-[[(3R)-1-[2-(2-fluorophenyl)et…

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) 4.00 3.03 -48.32 1 5 1 43 415.529 8 ↓

Analogs

39637747
39637747
39637748
39637748
39638811
39638811
39638812
39638812
39638827
39638827

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-2,3-dimethoxy-N-methyl-benzamide N-[[(3S)-1-[2-(2-fluorophenyl)et…

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) 4.00 3.18 -49.12 1 5 1 43 415.529 8 ↓

Analogs

11818268
11818268
39638983
39638983
39638984
39638984

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N,2,3-trimethyl-benzamide N-[[(3R)-1-[2-(2-fluorophenyl)et…

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) 4.43 2.79 -42.24 1 3 1 25 383.531 6 ↓

Analogs

39638983
39638983
39638984
39638984
11818267
11818267

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N,2,3-trimethyl-benzamide N-[[(3S)-1-[2-(2-fluorophenyl)et…

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) 4.43 2.73 -42.64 1 3 1 25 383.531 6 ↓

Analogs

11843487
11843487

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-4-vinyl-benzamide N-[[(3R)-1-[2-(2-fluorophenyl)et…

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) 4.48 2.98 -43.35 1 3 1 25 381.515 7 ↓

Analogs

11843486
11843486

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-4-vinyl-benzamide N-[[(3S)-1-[2-(2-fluorophenyl)et…

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) 4.48 3.22 -42.38 1 3 1 25 381.515 7 ↓

Analogs

11843505
11843505
34697971
34697971
34697972
34697972
34697973
34697973
34697974
34697974

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidyl]methyl]benzamide 2-fluoro-N-methyl-N-[[(3R)-1-[2-…

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) 4.50 4.35 -51.87 1 3 1 25 423.474 7 ↓

Analogs

34697971
34697971
34697972
34697972
34697973
34697973
34697974
34697974
34699149
34699149

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidyl]methyl]benzamide 2-fluoro-N-methyl-N-[[(3S)-1-[2-…

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) 4.50 4.6 -50.52 1 3 1 25 423.474 7 ↓

Analogs

11999698
11999698
34697874
34697874
34697876
34697876
34697877
34697877
34697999
34697999

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidyl]methyl]benzamide 3-fluoro-N-methyl-N-[[(3R)-1-[2-…

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) 4.52 4.63 -52.03 1 3 1 25 423.474 7 ↓

Analogs

34697874
34697874
34697876
34697876
34697877
34697877
34697999
34697999
34698000
34698000

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidyl]methyl]benzamide 3-fluoro-N-methyl-N-[[(3S)-1-[2-…

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) 4.52 4.42 -46.95 1 3 1 25 423.474 7 ↓

Analogs

12031147
12031147

Draw Identity 99% 90% 80% 70%

Popular Name: 2-acetyl-N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-benzamide 2-acetyl-N-[[(3R)-1-[2-(2-fluoro…

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 3.19 -47.17 1 4 1 42 397.514 7 ↓

Analogs

12031140
12031140

Draw Identity 99% 90% 80% 70%

Popular Name: 2-acetyl-N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-N-methyl-benzamide 2-acetyl-N-[[(3S)-1-[2-(2-fluoro…

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 3.43 -46.17 1 4 1 42 397.514 7 ↓

Analogs

12208926
12208926

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]-3-piperidyl]methyl]-N,2-dimethyl-benzamide N-[[(3R)-1-[2-(4-fluorophenyl)et…

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) 4.08 2.76 -45.98 1 3 1 25 369.504 6 ↓

Analogs

12208921
12208921

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]-3-piperidyl]methyl]-N,2-dimethyl-benzamide N-[[(3S)-1-[2-(4-fluorophenyl)et…

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) 4.08 2.76 -46.46 1 3 1 25 369.504 6 ↓

Parameters Provided:

ring.id = 48226
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 = 48226 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=48226&filter.purchasability=annotated

Embed Link to Results