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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: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine 1-(3,5-dimethyl-1H-pyrazol-4-yl)…

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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) 0.58 6.12 -57.08 3 6 1 75 257.321 4 ↓
Mid Mid (pH 6-8) 0.58 4.76 -16.05 2 6 0 71 256.313 4 ↓

Analogs

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Popular Name: (1S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1S)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 1.14 6.42 -51.53 3 6 1 75 271.348 4 ↓
Mid Mid (pH 6-8) 1.14 5.26 -18.23 2 6 0 71 270.34 4 ↓

Analogs

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Popular Name: (1R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1R)-N-[(3,5-dimethyl-1H-pyrazol…

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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) 1.14 6.42 -52.23 3 6 1 75 271.348 4 ↓
Mid Mid (pH 6-8) 1.14 5.15 -17.55 2 6 0 71 270.34 4 ↓

Analogs

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Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-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) 1.71 9.84 -109.14 3 7 2 69 329.452 6 ↓
Hi High (pH 8-9.5) 1.71 8.47 -35.08 2 7 1 65 328.444 6 ↓
Hi High (pH 8-9.5) 1.71 8.29 -15.58 1 7 0 63 327.436 6 ↓

Analogs

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Popular Name: 1-(1-tert-butylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine 1-(1-tert-butylpyrazol-4-yl)-N-(…

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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) 1.39 8.43 -55.52 2 6 1 65 285.375 5 ↓
Mid Mid (pH 6-8) 1.39 7.08 -15.55 1 6 0 60 284.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-isopropyl-1-methyl-pyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine 1-(3-isopropyl-1-methyl-pyrazol-…

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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) 1.48 8.26 -58.85 2 6 1 65 285.375 5 ↓
Mid Mid (pH 6-8) 1.48 6.89 -17.03 1 6 0 60 284.367 5 ↓

Parameters Provided:

ring.id = 113969
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 = 113969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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