UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25003393
25003393
25003396
25003396
49379103
49379103
49379106
49379106

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-pyrazole-4-carboxamide N-[(1S)-1-(1,5-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) 0.29 0.65 -15.16 1 6 0 64 261.329 3 ↓

Analogs

25003393
25003393
25003396
25003396
49379103
49379103
49379106
49379106

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-pyrazole-4-carboxamide N-[(1R)-1-(1,5-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) 0.29 3.98 -15.12 1 6 0 65 261.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-4-carboxamide N-methyl-N-(1H-pyrazol-4-ylmethy…

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) -1.08 1.28 -14.46 2 6 0 78 205.221 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1-dimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazole-4-carboxamide N,1-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) -1.01 2.57 -12.27 1 6 0 67 219.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1H-pyrazole-4-carboxamide N-[(1R)-1-(1,5-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) 0.00 2.1 -12.3 2 6 0 76 233.275 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1H-pyrazole-4-carboxamide N-[(1S)-1-(1,5-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) 0.00 2.05 -12.35 2 6 0 76 233.275 3 ↓

Analogs

2781649
2781649
36721273
36721273

Draw Identity 99% 90% 80% 70%

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

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) -0.27 3.15 -13.75 1 6 0 65 247.302 3 ↓

Analogs

34959168
34959168

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[(1-methylpyrazol…

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) -0.49 2.68 -12.26 1 6 0 65 233.275 3 ↓

Analogs

5355837
5355837

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide 1-tert-butyl-5-methyl-N-[(1-meth…

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) 0.69 4.42 -11.78 1 6 0 65 275.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.31 3.04 -11.9 1 6 0 65 267.72 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide 1-tert-butyl-N-[(1-methylpyrazol…

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) 0.47 4.18 -11.86 1 6 0 65 261.329 4 ↓

Analogs

2781786
2781786
2781787
2781787

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[(1R)-1-(1,3,5-tr…

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) 0.51 4.53 -12.52 1 6 0 65 275.356 3 ↓

Analogs

2781786
2781786
2781787
2781787

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[(1S)-1-(1,3,5-tr…

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) 0.51 4.55 -13.61 1 6 0 65 275.356 3 ↓

Analogs

37841082
37841082

Draw Identity 99% 90% 80% 70%

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

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) -0.34 5.5 -11.88 0 6 0 56 261.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.46 5.86 -11.03 0 6 0 56 295.774 4 ↓

Analogs

49429012
49429012
2778250
2778250
24480394
24480394

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-[(1-methylpyra…

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) -0.57 4 -15.21 1 6 0 67 247.302 3 ↓

Parameters Provided:

ring.id = 234048
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 = 234048 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=234048&filter.purchasability=annotated

Embed Link to Results