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

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Popular Name: N-ethyl-N-[4-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]thia N-ethyl-N-[4-[[[(6R)-2-ethyl-5,6…

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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) 0.84 7.71 -53.35 2 7 1 81 349.484 6 ↓
Mid Mid (pH 6-8) 0.84 6.53 -17.67 1 7 0 76 348.476 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[4-[[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]thia N-ethyl-N-[4-[[[(6S)-2-ethyl-5,6…

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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) 0.84 7.71 -55.87 2 7 1 81 349.484 6 ↓
Mid Mid (pH 6-8) 0.84 6.56 -19.4 1 7 0 76 348.476 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]thiazol-2-yl N-[4-[[[(6R)-2-ethyl-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) 0.46 6.63 -57.16 2 7 1 81 335.457 5 ↓
Mid Mid (pH 6-8) 0.46 5.48 -15.32 1 7 0 76 334.449 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]thiazol-2-yl N-[4-[[[(6S)-2-ethyl-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) 0.46 6.63 -57.83 2 7 1 81 335.457 5 ↓
Mid Mid (pH 6-8) 0.46 5.5 -15.19 1 7 0 76 334.449 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]thiazol-2-yl N-[4-[[[(6R)-2-ethyl-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) 0.22 4.9 -56.48 3 7 1 89 321.43 5 ↓
Mid Mid (pH 6-8) 0.22 3.74 -14.25 2 7 0 85 320.422 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.22 4.9 -57.32 3 7 1 89 321.43 5 ↓
Mid Mid (pH 6-8) 0.22 3.76 -14.26 2 7 0 85 320.422 5 ↓

Parameters Provided:

ring.id = 464901
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 = 464901 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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