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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: 6-methyl-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyridin-3-ol 6-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) 0.05 4.61 -59.18 3 6 1 85 260.321 3 ↓
Mid Mid (pH 6-8) 0.05 3.35 -26 2 6 0 80 259.313 3 ↓

Analogs

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Popular Name: 6-methyl-2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyridin-3-ol 6-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) 0.05 4.6 -63.25 3 6 1 85 260.321 3 ↓
Mid Mid (pH 6-8) 0.05 3.32 -30.23 2 6 0 80 259.313 3 ↓

Analogs

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

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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) -0.12 5.55 -51 2 5 1 60 230.295 3 ↓
Mid Mid (pH 6-8) -0.12 4.41 -9.58 1 5 0 56 229.287 3 ↓

Analogs

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

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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) -0.12 5.55 -52.25 2 5 1 60 230.295 3 ↓
Mid Mid (pH 6-8) -0.12 4.39 -11.14 1 5 0 56 229.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.04 5.44 -51.37 2 5 1 60 244.322 3 ↓
Mid Mid (pH 6-8) -0.04 4.27 -9.65 1 5 0 56 243.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -0.04 5.44 -52.66 2 5 1 60 244.322 3 ↓
Mid Mid (pH 6-8) -0.04 4.29 -10.06 1 5 0 56 243.314 3 ↓

Analogs

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Popular Name: (6R)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6 (6R)-N-[(4-methoxy-3,5-dimethyl-…

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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) 1.08 6.1 -53.21 2 6 1 69 288.375 4 ↓
Mid Mid (pH 6-8) 1.08 4.94 -9.97 1 6 0 65 287.367 4 ↓
Mid Mid (pH 6-8) 1.08 5.47 -39.25 2 6 1 66 288.375 4 ↓

Analogs

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Popular Name: (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6 (6S)-N-[(4-methoxy-3,5-dimethyl-…

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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) 1.08 6.1 -51.96 2 6 1 69 288.375 4 ↓
Mid Mid (pH 6-8) 1.08 4.92 -9.64 1 6 0 65 287.367 4 ↓
Mid Mid (pH 6-8) 1.08 5.45 -38.87 2 6 1 66 288.375 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]-6-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) 0.71 5.1 -59.23 3 6 1 85 288.375 4 ↓
Mid Mid (pH 6-8) 0.71 3.91 -23.05 2 6 0 80 287.367 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]-6-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) 0.71 5.1 -63.46 3 6 1 85 288.375 4 ↓
Mid Mid (pH 6-8) 0.71 3.92 -26.51 2 6 0 80 287.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrid 6-methyl-2-[[[(6R)-2-methyl-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) 0.14 4.5 -59.52 3 6 1 85 274.348 3 ↓
Mid Mid (pH 6-8) 0.14 3.23 -26.62 2 6 0 80 273.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrid 6-methyl-2-[[[(6S)-2-methyl-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) 0.14 4.49 -63.78 3 6 1 85 274.348 3 ↓
Mid Mid (pH 6-8) 0.14 3.21 -31.1 2 6 0 80 273.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6R)-N-[(4-methoxy-3,5-dimethyl-…

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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) 1.17 5.99 -53.56 2 6 1 69 302.402 4 ↓
Mid Mid (pH 6-8) 1.17 4.83 -10.6 1 6 0 65 301.394 4 ↓
Mid Mid (pH 6-8) 1.17 5.35 -39.78 2 6 1 66 302.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a] (6S)-N-[(4-methoxy-3,5-dimethyl-…

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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) 1.17 5.99 -52.34 2 6 1 69 302.402 4 ↓
Mid Mid (pH 6-8) 1.17 4.81 -10.24 1 6 0 65 301.394 4 ↓
Mid Mid (pH 6-8) 1.17 5.33 -39.29 2 6 1 66 302.402 4 ↓

Parameters Provided:

ring.id = 368645
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 = 368645 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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