UCSF
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Analogs

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Popular Name: (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(2-pyridylmethyl)propanamide (2R)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.72 6.22 -18.68 1 7 0 80 313.361 4 ↓
Lo Low (pH 4.5-6) -0.72 6.61 -48.02 2 7 1 81 314.369 4 ↓

Analogs

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Popular Name: (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(2-pyridylmethyl)propanamide (2S)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.72 5.96 -16.96 1 7 0 80 313.361 4 ↓
Lo Low (pH 4.5-6) -0.72 6.35 -48.77 2 7 1 81 314.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(2-pyridylmethyl)butanamide (2R)-2-(2-methyl-5-oxo-6,7-dihyd…

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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) -0.18 7.22 -18.3 1 7 0 80 327.388 5 ↓
Lo Low (pH 4.5-6) -0.18 7.61 -47.96 2 7 1 81 328.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl)-N-(2-pyridylmethyl)butanamide (2S)-2-(2-methyl-5-oxo-6,7-dihyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.18 6.99 -16.55 1 7 0 80 327.388 5 ↓
Lo Low (pH 4.5-6) -0.18 7.38 -48.74 2 7 1 81 328.396 5 ↓

Parameters Provided:

ring.id = 87309
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 = 87309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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