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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-methylisoxazol-5-yl)met 1-[(6S)-3-ethyl-5,6,7,8-tetrahyd…

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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) 1.03 7.36 -71.31 2 6 1 73 276.364 5 ↓
Hi High (pH 8-9.5) 1.03 6.2 -16.55 1 6 0 69 275.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-methylisoxazol-5-yl)met 1-[(6R)-3-ethyl-5,6,7,8-tetrahyd…

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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) 1.03 7.38 -71.15 2 6 1 73 276.364 5 ↓
Hi High (pH 8-9.5) 1.03 6.01 -16.66 1 6 0 69 275.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6S)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1-(3-methylisoxaz N-[[(6S)-3-isopropyl-5,6,7,8-tet…

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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) 1.52 7.8 -71.02 2 6 1 73 290.391 5 ↓
Hi High (pH 8-9.5) 1.52 6.42 -17.69 1 6 0 69 289.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6R)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1-(3-methylisoxaz N-[[(6R)-3-isopropyl-5,6,7,8-tet…

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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) 1.52 7.8 -70.94 2 6 1 73 290.391 5 ↓
Hi High (pH 8-9.5) 1.52 6.64 -17.18 1 6 0 69 289.383 5 ↓

Parameters Provided:

ring.id = 488032
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 = 488032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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