UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide 1-methyl-N-[[6-(trifluoromethyl)…

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 5.67 -14.06 1 7 0 77 324.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-5-chloro-3-methyl-N-([1,2,4]triazolo[4,5-a]pyridin-3-ylmethyl)pyrazole-4-carboxamide 1-butyl-5-chloro-3-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) 2.30 7.99 -16.21 1 7 0 77 346.822 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[(1S)-1-([1,2,4]t…

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) 1.68 7.26 -15.13 1 7 0 77 312.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[(1R)-1-([1,2,4]t…

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) 1.68 7.26 -15.1 1 7 0 77 312.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide N-([1,2,4]triazolo[4,3-a]pyridin…

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 3.39 -16.71 2 7 0 88 242.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-4-carboxamide N-[(1S)-1-([1,2,4]triazolo[4,3-a…

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) 0.33 4.06 -15.34 2 7 0 88 256.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-4-carboxamide N-[(1R)-1-([1,2,4]triazolo[4,3-a…

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) 0.33 4.06 -15.33 2 7 0 88 256.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide 5-methyl-N-([1,2,4]triazolo[4,3-…

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) -0.01 3.96 -15.93 2 7 0 88 256.269 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[(1S)-1-([1,2,4]triaz…

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) 0.55 4.63 -14.74 2 7 0 88 270.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[(1R)-1-([1,2,4]triaz…

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) 0.55 4.63 -14.72 2 7 0 88 270.296 3 ↓

Parameters Provided:

ring.id = 185122
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 = 185122 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=185122&filter.purchasability=annotated

Embed Link to Results