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Analogs

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Popular Name: 4,6-dimethoxy-N-(4-pyridylmethyl)-1,3,5-triazin-2-amine 4,6-dimethoxy-N-(4-pyridylmethyl…

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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) 1.57 0.1 -8.58 1 7 0 82 247.258 5 ↓
Lo Low (pH 4.5-6) 1.57 0.56 -39.87 2 7 1 83 248.266 5 ↓

Analogs

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Popular Name: 4,6-dimethoxy-N-[(1S)-1-(4-pyridyl)ethyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(1S)-1-(4-pyrid…

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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) 2.13 0.99 -8.69 1 7 0 82 261.285 5 ↓
Lo Low (pH 4.5-6) 2.13 1.46 -40.09 2 7 1 83 262.293 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethoxy-N-[(1R)-1-(4-pyridyl)ethyl]-1,3,5-triazin-2-amine 4,6-dimethoxy-N-[(1R)-1-(4-pyrid…

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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) 2.13 0.99 -8.66 1 7 0 82 261.285 5 ↓
Lo Low (pH 4.5-6) 2.13 1.45 -40.06 2 7 1 83 262.293 5 ↓

Parameters Provided:

ring.id = 217062
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 = 217062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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