UCSF
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Analogs

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Popular Name: N5,N5-diethyl-N2-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxamide N5,N5-diethyl-N2-(2-pyridylmethy…

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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) 0.60 5.08 -18.23 1 8 0 83 356.43 5 ↓
Lo Low (pH 4.5-6) 0.60 5.48 -44.65 2 8 1 85 357.438 5 ↓

Analogs

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Popular Name: 5-[(E)-hex-2-enyl]-N-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide 5-[(E)-hex-2-enyl]-N-(2-pyridylm…

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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) 2.15 5.39 -11.46 1 6 0 63 339.443 7 ↓
Mid Mid (pH 6-8) 2.15 7.64 -53.3 2 6 1 64 340.451 7 ↓
Lo Low (pH 4.5-6) 2.15 8.05 -90.44 3 6 2 65 341.459 7 ↓

Analogs

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Popular Name: 5-isobutyl-N-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide 5-isobutyl-N-(2-pyridylmethyl)-6…

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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) 1.07 6.1 -51.66 2 6 1 64 314.413 5 ↓
Mid Mid (pH 6-8) 1.07 4.22 -11.07 1 6 0 63 313.405 5 ↓
Lo Low (pH 4.5-6) 1.07 6.51 -88.74 3 6 2 65 315.421 5 ↓

Analogs

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Popular Name: 2-[2-(2-pyridylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetic 2-[2-(2-pyridylmethylcarbamoyl)-…

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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) -1.72 4.7 -45.54 2 8 0 104 315.333 5 ↓
Mid Mid (pH 6-8) -1.72 2.54 -50.83 1 8 -1 103 314.325 5 ↓
Lo Low (pH 4.5-6) -1.72 5.1 -74.12 3 8 1 106 316.341 5 ↓

Analogs

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Popular Name: 5-(3-methylbut-2-enyl)-N-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide 5-(3-methylbut-2-enyl)-N-(2-pyri…

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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) 1.63 4.43 -11.61 1 6 0 63 325.416 5 ↓
Lo Low (pH 4.5-6) 1.63 7.09 -89.28 3 6 2 65 327.432 5 ↓
Lo Low (pH 4.5-6) 1.63 6.68 -52.16 2 6 1 64 326.424 5 ↓

Analogs

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Popular Name: 5-isopropyl-N-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide 5-isopropyl-N-(2-pyridylmethyl)-…

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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) 0.62 5.19 -48.75 2 6 1 64 300.386 4 ↓
Lo Low (pH 4.5-6) 0.62 5.59 -85.66 3 6 2 65 301.394 4 ↓

Parameters Provided:

ring.id = 407331
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 = 407331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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