UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2778495
2778495

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-5-methyl-pyrazol-1-yl)-N-[3-(2-ketopyrrolidino)propyl]acetamide 2-(4-bromo-5-methyl-pyrazol-1-yl…

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) 0.48 -2.27 -20.4 1 6 0 67 343.225 6 ↓

Analogs

28226950
28226950
28226954
28226954
32611364
32611364
32611365
32611365
2780635
2780635

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-ketopyrrolidino)propyl]propionamid (2S)-2-[4-bromo-5-methyl-3-(trif…

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 6.18 -23.16 1 6 0 67 425.249 7 ↓

Analogs

28226950
28226950
28226954
28226954
32611364
32611364
32611365
32611365
2780635
2780635

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-ketopyrrolidino)propyl]propionamid (2R)-2-[4-bromo-5-methyl-3-(trif…

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 6.3 -21.9 1 6 0 67 425.249 7 ↓

Analogs

2781798
2781798
2781799
2781799
2782203
2782203
2782204
2782204
41367828
41367828

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chloro-5-methyl-pyrazol-1-yl)-N-[3-(2-ketopyrrolidino)propyl]propionamide (2S)-2-(4-chloro-5-methyl-pyrazo…

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) 0.71 -1.26 -20.86 1 6 0 67 312.801 6 ↓

Analogs

2781798
2781798
2781799
2781799
2782203
2782203
2782204
2782204
41367828
41367828

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chloro-5-methyl-pyrazol-1-yl)-N-[3-(2-ketopyrrolidino)propyl]propionamide (2R)-2-(4-chloro-5-methyl-pyrazo…

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) 0.71 -1.26 -19.94 1 6 0 67 312.801 6 ↓

Analogs

2781799
2781799
2781607
2781607
2781608
2781608

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chloro-3-methyl-pyrazol-1-yl)-N-[3-(2-ketopyrrolidino)propyl]propionamide (2S)-2-(4-chloro-3-methyl-pyrazo…

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) 0.71 5.13 -18.42 1 6 0 67 312.801 6 ↓

Analogs

2781607
2781607
2781608
2781608

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chloro-3-methyl-pyrazol-1-yl)-N-[3-(2-ketopyrrolidino)propyl]propionamide (2R)-2-(4-chloro-3-methyl-pyrazo…

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) 0.71 -1.36 -19.6 1 6 0 67 312.801 6 ↓

Analogs

2778805
2778805

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[3-(2-ketopyrrolidino)propyl]acetamide 2-(4-bromo-3-methyl-pyrazol-1-yl…

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) 0.48 4.74 -20.92 1 6 0 67 343.225 6 ↓

Analogs

325703
325703

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-[3-(2-ketopyrrolidino)propyl]acetamide 2-[3-(difluoromethyl)-5-methyl-p…

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) 0.52 -0.15 -20.81 1 6 0 67 314.336 7 ↓

Analogs

2782204
2782204
2781607
2781607
2781608
2781608

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-ketopyrrolidino)propyl]propionami (2S)-2-[4-chloro-5-methyl-3-(tri…

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) 1.84 6.12 -23.09 1 6 0 67 380.798 7 ↓

Analogs

2781607
2781607
2781608
2781608

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-ketopyrrolidino)propyl]propionami (2R)-2-[4-chloro-5-methyl-3-(tri…

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) 1.84 6.23 -21.8 1 6 0 67 380.798 7 ↓

Parameters Provided:

ring.id = 233857
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 = 233857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=233857&filter.purchasability=annotated

Embed Link to Results