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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: (6R)-N-[(1-benzylimidazol-2-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-am (6R)-N-[(1-benzylimidazol-2-yl)m…

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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) 1.46 10 -58.15 2 6 1 65 337.451 6 ↓
Mid Mid (pH 6-8) 1.46 9.34 -41.77 2 6 1 62 337.451 6 ↓
Mid Mid (pH 6-8) 1.46 8.83 -11.91 1 6 0 61 336.443 6 ↓

Analogs

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

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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) 1.46 10.01 -61.26 2 6 1 65 337.451 6 ↓
Mid Mid (pH 6-8) 1.46 9.34 -40.99 2 6 1 62 337.451 6 ↓
Mid Mid (pH 6-8) 1.46 8.85 -13.14 1 6 0 61 336.443 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.80 9.48 -57.54 2 6 1 65 309.397 5 ↓
Mid Mid (pH 6-8) 0.80 9.64 -41.49 2 6 1 62 309.397 5 ↓
Mid Mid (pH 6-8) 0.80 8.34 -12.68 1 6 0 61 308.389 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.80 9.48 -60.27 2 6 1 65 309.397 5 ↓
Mid Mid (pH 6-8) 0.80 8.85 -41.39 2 6 1 62 309.397 5 ↓
Mid Mid (pH 6-8) 0.80 8.32 -14.84 1 6 0 61 308.389 5 ↓

Parameters Provided:

ring.id = 464847
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 = 464847 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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