UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42462609
42462609
42462611
42462611
42462613
42462613
42462615
42462615

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-1H-pyrazole-4-carboxamide N-(cyclopentylmethyl)-1H-pyrazol…

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) 1.22 2.73 -8.69 2 4 0 58 193.25 3 ↓

Analogs

42871177
42871177
42871179
42871179
42871181
42871181
42871183
42871183
43413374
43413374

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide N-(cyclopentylmethyl)-3,5-dimeth…

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) 1.67 3.81 -8.89 2 4 0 58 221.304 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1-methylcyclopentyl)methyl]-1H-pyrazole-4-carboxamide 5-amino-N-[(1-methylcyclopentyl)…

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) 1.07 2.46 -7.76 4 5 0 84 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1-methylcyclopentyl)methyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[(1-methylcyclopentyl…

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) 1.69 3.98 -7.7 2 4 0 58 221.304 3 ↓

Analogs

42871177
42871177
42871179
42871179
42871181
42871181

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1-methylcyclope…

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) 1.91 4.48 -8.73 2 4 0 58 235.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1S)-1-cyclopentylethyl]-1H-pyrazole-4-carboxamide 5-amino-N-[(1S)-1-cyclopentyleth…

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) 1.16 2.72 -7.98 4 5 0 84 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-[(1R)-1-cyclopentylethyl]-1H-pyrazole-4-carboxamide 5-amino-N-[(1R)-1-cyclopentyleth…

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) 1.16 2.5 -8.08 4 5 0 84 222.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentylethyl]-1H-pyrazole-4-carboxamide N-[(1S)-1-cyclopentylethyl]-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) 1.55 3.66 -8.69 2 4 0 58 207.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-1H-pyrazole-4-carboxamide N-[(1R)-1-cyclopentylethyl]-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) 1.55 3.44 -8.76 2 4 0 58 207.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminopropyl)-N-[(1S)-1-cyclopentylethyl]-5-methyl-pyrazole-4-carboxamide 1-(3-aminopropyl)-N-[(1S)-1-cycl…

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) 0.92 4.48 -52.03 4 5 1 75 279.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-aminopropyl)-N-[(1R)-1-cyclopentylethyl]-5-methyl-pyrazole-4-carboxamide 1-(3-aminopropyl)-N-[(1R)-1-cycl…

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) 0.92 4.27 -52.14 4 5 1 75 279.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentylethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide N-[(1S)-1-cyclopentylethyl]-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) 2.00 4.73 -8.93 2 4 0 58 235.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide N-[(1R)-1-cyclopentylethyl]-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) 2.00 4.52 -8.99 2 4 0 58 235.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide N-[(1-hydroxycyclopentyl)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) 0.53 -0.66 -18.72 2 6 0 76 253.302 4 ↓

Parameters Provided:

ring.id = 80891
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 = 80891 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=80891&filter.purchasability=annotated

Embed Link to Results