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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-[[5-(3-methyl-2-furyl)-1,3, 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 4.61 -70.79 2 8 1 99 343.411 6 ↓
Hi High (pH 8-9.5) 1.03 3.47 -19.59 1 8 0 95 342.403 6 ↓

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-[[5-(3-methyl-2-furyl)-1,3, 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 4.64 -70.74 2 8 1 99 343.411 6 ↓
Hi High (pH 8-9.5) 1.03 3.28 -19.9 1 8 0 95 342.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.14 4.01 -70.81 2 8 1 99 343.411 6 ↓
Hi High (pH 8-9.5) 1.14 2.87 -19.34 1 8 0 95 342.403 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.14 4.01 -70.88 2 8 1 99 343.411 6 ↓
Hi High (pH 8-9.5) 1.14 2.65 -19.66 1 8 0 95 342.403 6 ↓

Parameters Provided:

ring.id = 430908
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 = 430908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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