UCSF
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Analogs

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Popular Name: 6-[[2-(2-methoxyphenyl)ethyl-methyl-amino]methyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine 6-[[2-(2-methoxyphenyl)ethyl-met…

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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) 1.79 8.41 -9.16 2 7 0 80 316.409 7 ↓
Lo Low (pH 4.5-6) 1.79 10.75 -36.42 3 7 1 82 317.417 7 ↓
Lo Low (pH 4.5-6) 1.79 8.76 -27.53 3 7 1 82 317.417 7 ↓

Analogs

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Popular Name: 6-[[methyl(phenethyl)amino]methyl]-1,3,5-triazine-2,4-diamine 6-[[methyl(phenethyl)amino]methy…

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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) 0.62 6.09 -7.2 4 6 0 94 258.329 5 ↓
Lo Low (pH 4.5-6) 0.62 8.4 -38.93 5 6 1 95 259.337 5 ↓
Lo Low (pH 4.5-6) 0.62 6.44 -30.38 5 6 1 95 259.337 5 ↓

Parameters Provided:

ring.id = 163153
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 = 163153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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