UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,7-dimethyl-3-[(3R)-3-methyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 5,7-dimethyl-3-[(3R)-3-methyl-3-…

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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) 1.04 7.78 -63.42 2 5 1 60 246.338 1 ↓

Analogs

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Popular Name: 5,7-dimethyl-3-[(3S)-3-methyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 5,7-dimethyl-3-[(3S)-3-methyl-3-…

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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) 1.04 7.65 -62.7 2 5 1 60 246.338 1 ↓

Analogs

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Popular Name: 3-[(3S)-3-ethyl-3-piperidyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine 3-[(3S)-3-ethyl-3-piperidyl]-5,7…

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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) 1.36 8.14 -65.53 2 5 1 60 260.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-ethyl-3-piperidyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine 3-[(3R)-3-ethyl-3-piperidyl]-5,7…

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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) 1.36 7.88 -64.88 2 5 1 60 260.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-dimethyl-3-[(3S)-3-propyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 5,7-dimethyl-3-[(3S)-3-propyl-3-…

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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) 1.92 8.9 -65.94 2 5 1 60 274.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-dimethyl-3-[(3R)-3-propyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 5,7-dimethyl-3-[(3R)-3-propyl-3-…

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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) 1.92 8.65 -65.16 2 5 1 60 274.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-methyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 3-[(3S)-3-methyl-3-piperidyl]-[1…

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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) 0.38 6.91 -53.36 2 5 1 60 218.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-methyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 3-[(3R)-3-methyl-3-piperidyl]-[1…

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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) 0.38 6.91 -53.32 2 5 1 60 218.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-ethyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 3-[(3S)-3-ethyl-3-piperidyl]-[1,…

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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) 0.70 7.1 -64.46 2 5 1 60 232.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-ethyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 3-[(3R)-3-ethyl-3-piperidyl]-[1,…

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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) 0.70 7.09 -64.6 2 5 1 60 232.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-propyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 3-[(3S)-3-propyl-3-piperidyl]-[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) 1.26 7.86 -64.87 2 5 1 60 246.338 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-propyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyrimidine 3-[(3R)-3-propyl-3-piperidyl]-[1…

Find On: PubMed — Wikipedia — Google

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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) 1.26 7.85 -64.98 2 5 1 60 246.338 3 ↓

Parameters Provided:

ring.id = 295881
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 = 295881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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