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Analogs

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Popular Name: 2-[2-[(4-methylcyclohexyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[(4-methylcyclohexyl)amino]…

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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) 1.94 8.49 -42.88 2 5 1 56 275.376 4 ↓

Analogs

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Popular Name: 2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1S,2R)-2-methylcyclohexy…

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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) 2.41 8.36 -41.41 2 5 1 56 275.376 4 ↓

Analogs

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Popular Name: 2-[2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1S,2S)-2-methylcyclohexy…

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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) 2.41 8.56 -41.07 2 5 1 56 275.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1R,2R)-2-methylcyclohexy…

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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) 2.41 8.56 -41.06 2 5 1 56 275.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1R,2S)-2-methylcyclohexy…

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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) 2.41 8.36 -41.8 2 5 1 56 275.376 4 ↓

Analogs

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Popular Name: 2-[2-[[(1S,3R)-3-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1S,3R)-3-methylcyclohexy…

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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) 2.17 8.49 -42.64 2 5 1 56 275.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1S,3S)-3-methylcyclohexy…

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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) 2.17 8.26 -42.46 2 5 1 56 275.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1R,3R)-3-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1R,3R)-3-methylcyclohexy…

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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) 2.17 8.26 -42.63 2 5 1 56 275.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1R,3S)-3-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1R,3S)-3-methylcyclohexy…

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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) 2.17 8.48 -42.78 2 5 1 56 275.376 4 ↓

Analogs

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Popular Name: 2-[2-(cyclohexylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-(cyclohexylamino)ethyl]-[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) 2.17 7.88 -42.32 2 5 1 56 261.349 4 ↓

Parameters Provided:

ring.id = 72743
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 = 72743 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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