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Popular Name: 2-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]indolizine-1-carbonitrile 2-[(3-methyl-6,8-dihydro-5H-[1,2…

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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) 0.42 10.86 -57.21 1 6 1 63 293.354 2 ↓
Mid Mid (pH 6-8) 0.42 8.63 -18.99 0 6 0 62 292.346 2 ↓

Analogs

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Popular Name: 2-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]indolizine-1-carbonitrile 2-[(3-ethyl-6,8-dihydro-5H-[1,2,…

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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) 0.99 11.47 -57.27 1 6 1 63 307.381 3 ↓
Mid Mid (pH 6-8) 0.99 9.23 -18.77 0 6 0 62 306.373 3 ↓

Analogs

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Popular Name: 2-[(3-isopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]indolizine-1-carbonitrile 2-[(3-isopropyl-6,8-dihydro-5H-[…

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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) 1.48 11.9 -56.99 1 6 1 63 321.408 3 ↓
Mid Mid (pH 6-8) 1.48 9.67 -18.38 0 6 0 62 320.4 3 ↓

Parameters Provided:

ring.id = 339281
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 = 339281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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