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Analogs

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

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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) 1.12 6.95 -60.68 2 5 1 60 232.311 1 ↓

Analogs

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

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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) 1.12 6.88 -61.48 2 5 1 60 232.311 1 ↓

Analogs

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

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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) 1.45 7.38 -68.56 2 5 1 60 246.338 2 ↓

Analogs

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

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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) 1.45 7.28 -60.88 2 5 1 60 246.338 2 ↓

Analogs

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

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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) 2.00 8.15 -68.93 2 5 1 60 260.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.00 8.05 -61.28 2 5 1 60 260.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.46 6.32 -54.78 2 5 1 60 204.257 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.46 6.45 -53.28 2 5 1 60 204.257 1 ↓

Analogs

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

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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) 0.78 6.63 -62.54 2 5 1 60 218.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.78 6.55 -60.65 2 5 1 60 218.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.34 7.4 -62.88 2 5 1 60 232.311 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.34 7.32 -61.06 2 5 1 60 232.311 3 ↓

Parameters Provided:

ring.id = 307910
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 = 307910 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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