UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2781583
2781583
2782114
2782114
2782115
2782115

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-pyrazole-3-carboxamide 4-bromo-N-[(1R)-1-(1,3-dimethylp…

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) 1.11 4.01 -12.28 1 6 0 65 326.198 3 ↓

Analogs

2782114
2782114
2782115
2782115
2781582
2781582

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-pyrazole-3-carboxamide 4-bromo-N-[(1S)-1-(1,3-dimethylp…

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) 1.11 3.99 -11.5 1 6 0 65 326.198 3 ↓

Analogs

20616782
20616782
20617474
20617474

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethyl-pyrazole-3-carboxamide N-[(1,5-dimethylpyrazol-4-yl)met…

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) 0.28 4.77 -15.93 0 6 0 56 261.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide 2-methyl-N-[(1-methylpyrazol-4-y…

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) 0.73 1.63 -10.54 1 6 0 64 287.245 4 ↓

Analogs

2781891
2781891
2782212
2782212
2782213
2782213
2778583
2778583
2781379
2781379

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-4-nitro-pyrazole-3-carboxamide N-[(1R)-1-(1,3-dimethylpyrazol-4…

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) 0.26 4.04 -16.45 1 9 0 111 292.299 4 ↓

Analogs

2782212
2782212
2782213
2782213
2778583
2778583
2781379
2781379

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-4-nitro-pyrazole-3-carboxamide N-[(1S)-1-(1,3-dimethylpyrazol-4…

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) 0.26 4.03 -15.66 1 9 0 111 292.299 4 ↓

Analogs

2774841
2774841
2774917
2774917
2774935
2774935

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-iodo-2-methyl-pyrazole-3-carboxamide N-[(1,3-dimethylpyrazol-4-yl)met…

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) 0.83 3.69 -10.93 1 6 0 65 359.171 3 ↓

Analogs

2781582
2781582
2781583
2781583

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-pyrazole-3-carboxamide 4-bromo-N-[(1R)-1-(1,5-dimethylp…

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) 1.11 -0.58 -11.33 1 6 0 64 326.198 3 ↓

Analogs

2781582
2781582
2781583
2781583

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-pyrazole-3-carboxamide 4-bromo-N-[(1S)-1-(1,5-dimethylp…

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) 1.11 3.86 -10.83 1 6 0 65 326.198 3 ↓

Analogs

2782239
2782239
2782240
2782240
375146
375146
2776783
2776783

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide 4-chloro-N-[1-(1,3-dimethyl-1H-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) 1.20 0.26 -11.85 1 6 0 64 295.774 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazole-3-carboxamide N,2-dimethyl-N-(1H-pyrazol-4-ylm…

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) -0.23 2.67 -11.08 1 6 0 67 219.248 3 ↓

Analogs

2781026
2781026
37987312
37987312

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide 2-ethyl-5-methyl-N-[(1,3,5-trime…

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) 0.64 4.57 -10.68 1 6 0 65 275.356 4 ↓

Analogs

37987312
37987312

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-methyl-pyrazole-3-carboxamide 2-ethyl-N-[(1-ethyl-3,5-dimethyl…

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) 1.01 5.37 -10.51 1 6 0 65 289.383 5 ↓

Analogs

2777854
2777854
2777891
2777891

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-ethyl-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide 4-chloro-2-ethyl-5-methyl-N-[(1,…

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) 1.24 4.99 -11.97 1 6 0 65 309.801 4 ↓

Analogs

2777854
2777854

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-methyl-pyrazole-3-carboxamide 4-chloro-2-ethyl-N-[(1-ethyl-3,5…

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) 1.62 5.79 -10.84 1 6 0 65 323.828 5 ↓

Analogs

36613798
36613798

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1H-pyrazole-5-carboxamide N-ethyl-N-[(1-methylpyrazol-4-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) 1.45 6.28 -14.29 1 6 0 67 275.356 6 ↓

Parameters Provided:

ring.id = 233930
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 = 233930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=233930&filter.purchasability=annotated

Embed Link to Results