UCSF
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Analogs

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Popular Name: N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(4-methoxy-3,5-dimethyl-2-pyr…

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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) 1.74 8.64 -34.94 1 7 1 70 313.385 4 ↓
Mid Mid (pH 6-8) 1.74 7.38 -13.04 0 7 0 69 312.377 4 ↓

Analogs

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Popular Name: N,1,6-trimethyl-N-(2-pyridylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine N,1,6-trimethyl-N-(2-pyridylmeth…

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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) 0.63 6.89 -13.66 0 6 0 60 268.324 3 ↓
Lo Low (pH 4.5-6) 0.63 7.3 -41.26 1 6 1 61 269.332 3 ↓

Analogs

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Popular Name: 3-methylsulfanyl-N-(2-pyridylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 3-methylsulfanyl-N-(2-pyridylmet…

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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) 0.95 5.25 -9.1 2 6 0 79 272.337 4 ↓
Lo Low (pH 4.5-6) 0.95 5.66 -38.18 3 6 1 81 273.345 4 ↓

Parameters Provided:

ring.id = 189683
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 = 189683 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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