UCSF
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Analogs

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Popular Name: 1-[4-[[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]amino]-2-(4-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]p 1-[4-[[2-hydroxy-1-(hydroxymethy…

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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) -0.42 1.57 -13.14 3 8 0 111 357.414 5 ↓
Lo Low (pH 4.5-6) -0.42 1.89 -42.22 4 8 1 113 358.422 5 ↓

Analogs

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Popular Name: 1-[4-(dimethylamino)-2-(4-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-ethoxy-propan-1-one 1-[4-(dimethylamino)-2-(4-pyridy…

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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) 1.25 7.89 -10.67 0 7 0 71 355.442 6 ↓
Lo Low (pH 4.5-6) 1.25 8.22 -40.57 1 7 1 73 356.45 6 ↓

Analogs

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Popular Name: 1-[4-[(2-methoxy-2-methyl-propyl)amino]-2-(4-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]eth 1-[4-[(2-methoxy-2-methyl-propyl…

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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) 1.20 6.42 -15.57 1 7 0 80 355.442 5 ↓
Lo Low (pH 4.5-6) 1.20 6.74 -34.58 2 7 1 81 356.45 5 ↓

Analogs

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Popular Name: N-methyl-N-[2-[[2-(4-pyridyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]ethyl]methanesulfo N-methyl-N-[2-[[2-(4-pyridyl)-5,…

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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) 0.21 2.93 -62.18 3 8 1 105 363.467 6 ↓

Parameters Provided:

ring.id = 28947
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 = 28947 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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