UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromo-2-fluoro-phenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)propanamide 3-(4-bromo-2-fluoro-phenyl)-N-me…

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) 2.64 8.99 -13.48 0 4 0 41 371.25 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,3-difluorophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)propanamide 3-(2,3-difluorophenyl)-N-methyl-…

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) 1.97 8.42 -15.76 0 4 0 41 310.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-(2,3,4-trimethoxyphenyl)propanamide N-(2-oxo-2-pyrrolidin-1-yl-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) 1.32 5.16 -13.27 1 7 0 77 350.415 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[3-(3-methoxyphenyl)propanoylamino]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[3-(3-methoxyphenyl)pr…

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) 0.62 4.43 -19.16 2 7 0 88 347.415 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[3-(3-methoxyphenyl)propanoylamino]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[3-(3-methoxyphenyl)pr…

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) 0.62 4.71 -18.83 2 7 0 88 347.415 7 ↓

Analogs

49464958
49464958

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-phenyl-propanamide N-[(1S)-1-methyl-2-oxo-2-pyrroli…

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) 1.82 6.59 -8.85 1 4 0 49 274.364 5 ↓

Analogs

36200297
36200297
36200299
36200299
37271643
37271643
37271640
37271640
37271557
37271557

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-phenyl-propanamide (3S)-3-amino-N-methyl-N-(2-oxo-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) -1.20 5.79 -45.31 3 5 1 68 290.387 5 ↓
Hi High (pH 8-9.5) -1.20 5.47 -13.93 2 5 0 67 289.379 5 ↓

Analogs

36200297
36200297
36200299
36200299
37271643
37271643
37271640
37271640
37271557
37271557

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-3-phenyl-propanamide (3R)-3-amino-N-methyl-N-(2-oxo-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) -1.20 5.79 -40.03 3 5 1 68 290.387 5 ↓
Hi High (pH 8-9.5) -1.20 5.43 -14.39 2 5 0 67 289.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)propanamide 3-(4-fluorophenyl)-N-(2-oxo-2-py…

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) 1.66 6.04 -9.78 1 4 0 49 278.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(m-tolyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)propanamide 3-(m-tolyl)-N-(2-oxo-2-pyrrolidi…

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) 1.92 6.64 -9.08 1 4 0 49 274.364 5 ↓

Parameters Provided:

ring.id = 181548
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 = 181548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=181548&filter.purchasability=annotated

Embed Link to Results