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

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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 8.37 -61.03 2 7 1 82 339.423 4 ↓
Mid Mid (pH 6-8) 1.46 7.62 -47.81 2 7 1 78 339.423 4 ↓
Mid Mid (pH 6-8) 1.46 7.18 -18.5 1 7 0 77 338.415 4 ↓

Analogs

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

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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 8.36 -60.39 2 7 1 82 339.423 4 ↓
Mid Mid (pH 6-8) 1.46 7.2 -17.09 1 7 0 77 338.415 4 ↓
Mid Mid (pH 6-8) 1.46 7.65 -44.86 2 7 1 78 339.423 4 ↓

Analogs

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Popular Name: 2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-9-methyl-pyrid 2-[[[(6R)-2-ethyl-5,6,7,8-tetrah…

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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 8.5 -60.79 2 7 1 82 339.423 4 ↓
Mid Mid (pH 6-8) 1.46 7.32 -18.61 1 7 0 77 338.415 4 ↓
Mid Mid (pH 6-8) 1.46 7.72 -45.37 2 7 1 78 339.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-9-methyl-pyrid 2-[[[(6S)-2-ethyl-5,6,7,8-tetrah…

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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 8.49 -60.16 2 7 1 82 339.423 4 ↓
Mid Mid (pH 6-8) 1.46 7.34 -17.28 1 7 0 77 338.415 4 ↓
Mid Mid (pH 6-8) 1.46 7.74 -42.65 2 7 1 78 339.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.06 7.72 -61.04 2 7 1 82 325.396 4 ↓
Mid Mid (pH 6-8) 1.06 6.97 -48.56 2 7 1 78 325.396 4 ↓
Mid Mid (pH 6-8) 1.06 6.53 -19.08 1 7 0 77 324.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.06 7.71 -60.44 2 7 1 82 325.396 4 ↓
Mid Mid (pH 6-8) 1.06 6.99 -45.59 2 7 1 78 325.396 4 ↓
Mid Mid (pH 6-8) 1.06 6.55 -17.73 1 7 0 77 324.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]p 9-methyl-2-[[[(6R)-5,6,7,8-tetra…

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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 8.09 -60.62 2 7 1 82 311.369 3 ↓
Mid Mid (pH 6-8) 0.80 6.89 -17.25 1 7 0 77 310.361 3 ↓
Mid Mid (pH 6-8) 0.80 7.21 -42.2 2 7 1 78 311.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]p 9-methyl-2-[[[(6S)-5,6,7,8-tetra…

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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 8.08 -60.02 2 7 1 82 311.369 3 ↓
Mid Mid (pH 6-8) 0.80 6.87 -17.01 1 7 0 77 310.361 3 ↓
Mid Mid (pH 6-8) 0.80 7.19 -40.61 2 7 1 78 311.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.87 -60.89 2 7 1 82 311.369 3 ↓
Mid Mid (pH 6-8) 0.80 6.68 -17.14 1 7 0 77 310.361 3 ↓
Mid Mid (pH 6-8) 0.80 7.08 -44.43 2 7 1 78 311.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.86 -60.28 2 7 1 82 311.369 3 ↓
Mid Mid (pH 6-8) 0.80 6.65 -16.88 1 7 0 77 310.361 3 ↓
Mid Mid (pH 6-8) 0.80 7.05 -42.65 2 7 1 78 311.369 3 ↓

Parameters Provided:

ring.id = 383647
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 = 383647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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