UCSF
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Analogs

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

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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) 1.40 6.72 -12.75 1 7 0 80 355.442 6 ↓
Lo Low (pH 4.5-6) 1.40 7.26 -31.33 2 7 1 81 356.45 6 ↓

Analogs

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

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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) 1.40 6.71 -13.13 1 7 0 80 355.442 6 ↓
Lo Low (pH 4.5-6) 1.40 7.24 -31.67 2 7 1 81 356.45 6 ↓

Analogs

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

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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) -0.48 2.58 -18.87 2 8 0 103 357.414 5 ↓
Lo Low (pH 4.5-6) -0.48 3.1 -33.14 3 8 1 104 358.422 5 ↓
Lo Low (pH 4.5-6) -0.48 3.12 -39.57 3 8 1 104 358.422 5 ↓

Analogs

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

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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) -0.48 2.4 -21.17 2 8 0 103 357.414 5 ↓
Lo Low (pH 4.5-6) -0.48 2.72 -34.53 3 8 1 104 358.422 5 ↓
Lo Low (pH 4.5-6) -0.48 2.94 -40.86 3 8 1 104 358.422 5 ↓

Analogs

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Popular Name: 1-[4-(dimethylamino)-2-(2-pyridyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4,4,4-trifluoro-butan 1-[4-(dimethylamino)-2-(2-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) 2.23 8.98 -12.73 0 6 0 62 379.386 5 ↓
Lo Low (pH 4.5-6) 2.23 9.5 -35.65 1 6 1 63 380.394 5 ↓

Parameters Provided:

ring.id = 37147
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 = 37147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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