UCSF
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Popular Name: 1-ethyl-3-methyl-N-(2-morpholinoethyl)pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-(2-morpholino…

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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) 0.54 3.15 -9.42 1 7 0 68 290.371 5 ↓
Mid Mid (pH 6-8) 0.54 5.42 -48.59 2 7 1 69 291.379 5 ↓

Analogs

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Popular Name: 3-methyl-N-(2-morpholinoethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-(2-morpholinoethyl)-1…

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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) 0.10 0.88 -8.31 2 7 0 79 262.317 4 ↓
Mid Mid (pH 6-8) 0.10 3.53 -44.88 3 7 1 80 263.325 4 ↓

Parameters Provided:

ring.id = 170934
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 = 170934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=170934&filter.purchasability=annotated

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