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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: [(2R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-2-yl]methanamine [(2R)-1-(7-methyl-[1,2,4]triazol…

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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) 0.59 6.29 -61.25 3 5 1 61 232.311 2 ↓

Analogs

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Popular Name: [(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-2-yl]methanamine [(2S)-1-(7-methyl-[1,2,4]triazol…

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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) 0.59 6.29 -61.12 3 5 1 61 232.311 2 ↓

Analogs

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Popular Name: 2,6-ditert-butyl-5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-8 2,6-ditert-butyl-5-[(3S)-3-(dime…

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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) 4.67 13.07 -53.1 1 6 1 62 383.564 4 ↓
Mid Mid (pH 6-8) 4.67 10.66 -12.38 0 6 0 60 382.556 4 ↓

Analogs

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Popular Name: 6-butyl-5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-2-isobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyridine 6-butyl-5-[(2R)-2-(dimethylamino…

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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) 4.68 11.38 -11.72 0 6 0 60 382.556 7 ↓
Mid Mid (pH 6-8) 4.68 13.66 -44.82 1 6 1 62 383.564 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-butyl-5-[(2S)-2-(dimethylamino)pyrrolidin-1-yl]-2-isobutyl-7-methyl-[1,2,4]triazolo[1,5-a]pyridine 6-butyl-5-[(2S)-2-(dimethylamino…

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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) 4.68 11.39 -11.54 0 6 0 60 382.556 7 ↓
Mid Mid (pH 6-8) 4.68 14.92 -44.64 1 6 1 62 383.564 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dibutyl-5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carb 2,6-dibutyl-5-[(2R)-2-(dimethyla…

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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) 5.00 11.58 -11.91 0 6 0 60 382.556 8 ↓
Mid Mid (pH 6-8) 5.00 13.93 -45.19 1 6 1 62 383.564 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dibutyl-5-[(2S)-2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carb 2,6-dibutyl-5-[(2S)-2-(dimethyla…

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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) 5.00 11.71 -11.68 0 6 0 60 382.556 8 ↓
Mid Mid (pH 6-8) 5.00 15.18 -45.02 1 6 1 62 383.564 8 ↓

Analogs

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Popular Name: 6-butyl-5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-2-isopropyl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin 6-butyl-5-[(2R)-2-(dimethylamino…

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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) 4.42 10.49 -12.08 0 6 0 60 368.529 6 ↓
Mid Mid (pH 6-8) 4.42 12.84 -45.06 1 6 1 62 369.537 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-butyl-5-[(2S)-2-(dimethylamino)pyrrolidin-1-yl]-2-isopropyl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin 6-butyl-5-[(2S)-2-(dimethylamino…

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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) 4.42 10.62 -11.85 0 6 0 60 368.529 6 ↓
Mid Mid (pH 6-8) 4.42 14.09 -44.83 1 6 1 62 369.537 6 ↓

Analogs

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Popular Name: 6-butyl-2-tert-butyl-5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridi 6-butyl-2-tert-butyl-5-[(2R)-2-(…

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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) 5.09 11.11 -12.13 0 6 0 60 382.556 6 ↓
Mid Mid (pH 6-8) 5.09 13.46 -45.3 1 6 1 62 383.564 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-butyl-2-tert-butyl-5-[(2S)-2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridi 6-butyl-2-tert-butyl-5-[(2S)-2-(…

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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) 5.09 11.24 -11.86 0 6 0 60 382.556 6 ↓
Mid Mid (pH 6-8) 5.09 14.72 -45.12 1 6 1 62 383.564 6 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(7-methyl-[1,2,4…

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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) 1.38 9.41 -45.37 0 6 -1 74 259.289 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(7-methyl-[1,2,4…

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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) 1.38 9.36 -44.09 0 6 -1 74 259.289 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(7-methyl-[1,2,4]…

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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) 1.72 9.89 -44.71 0 6 -1 74 273.316 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(7-methyl-[1,2,4]…

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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) 1.72 9.99 -48.95 0 6 -1 74 273.316 3 ↓

Analogs

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Popular Name: (3S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(7-methyl-[1,2,4]triazolo…

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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) 2.28 10.65 -45.01 0 6 -1 74 287.343 4 ↓

Analogs

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Popular Name: (3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(7-methyl-[1,2,4]triazolo…

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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) 2.28 10.75 -49.21 0 6 -1 74 287.343 4 ↓

Analogs

42434654
42434654

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Popular Name: [(2R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-2-yl]methanol [(2R)-1-(7-methyl-[1,2,4]triazol…

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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) 1.15 5.79 -12.02 1 5 0 54 232.287 2 ↓

Analogs

42434653
42434653

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Popular Name: [(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrrolidin-2-yl]methanol [(2S)-1-(7-methyl-[1,2,4]triazol…

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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) 1.15 5.79 -11.97 1 5 0 54 232.287 2 ↓

Parameters Provided:

ring.id = 109127
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 109127 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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