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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [(2S,6R)-2,6-dimethylpiperazin-1…

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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) 0.08 4.12 -52.7 2 6 1 67 288.375 1 ↓
Mid Mid (pH 6-8) 0.08 2.78 -14.57 1 6 0 63 287.367 1 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [(2S,6S)-2,6-dimethylpiperazin-1…

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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) 0.08 5.37 -54.19 2 6 1 67 288.375 1 ↓
Mid Mid (pH 6-8) 0.08 4.2 -16.41 1 6 0 63 287.367 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [(2R,6R)-2,6-dimethylpiperazin-1…

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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) 0.08 5.32 -54.23 2 6 1 67 288.375 1 ↓
Mid Mid (pH 6-8) 0.08 4.15 -16.29 1 6 0 63 287.367 1 ↓

Analogs

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Popular Name: [4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [4-(2-hydroxy-2-methyl-propyl)pi…

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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) -0.02 3.39 -17.76 1 7 0 74 317.393 3 ↓
Lo Low (pH 4.5-6) -0.02 5.07 -49.16 2 7 1 75 318.401 3 ↓

Analogs

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Popular Name: 5-methyl-3-(4-propylpiperazine-1-carbonyl)-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-methyl-3-(4-propylpiperazine-1…

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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 2.47 -47.62 0 7 -1 77 302.358 3 ↓
Mid Mid (pH 6-8) 0.12 6.04 -56.25 2 7 1 75 304.374 3 ↓
Mid Mid (pH 6-8) 0.12 3.82 -16.85 1 7 0 74 303.366 3 ↓

Analogs

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Popular Name: [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [4-[(2S)-2-hydroxybutyl]piperazi…

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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) 0.48 4 -17.18 1 7 0 74 345.447 4 ↓
Lo Low (pH 4.5-6) 0.48 6.21 -49.79 2 7 1 75 346.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [4-[(2R)-2-hydroxybutyl]piperazi…

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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) 0.48 3.95 -17.36 1 7 0 74 345.447 4 ↓
Lo Low (pH 4.5-6) 0.48 6.2 -50.01 2 7 1 75 346.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [4-[(2S)-2-hydroxybutyl]piperazi…

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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) 0.03 2.61 -18.87 1 7 0 74 317.393 4 ↓
Lo Low (pH 4.5-6) 0.03 4.83 -51.51 2 7 1 75 318.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [4-[(2R)-2-hydroxybutyl]piperazi…

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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) 0.03 2.59 -18.34 1 7 0 74 317.393 4 ↓
Lo Low (pH 4.5-6) 0.03 4.9 -49.81 2 7 1 75 318.401 4 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methan [6-(diethylaminomethyl)pyrazolo[…

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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) 1.03 7.53 -52.56 1 7 1 58 373.525 5 ↓
Hi High (pH 8-9.5) 1.03 5.52 -12.94 0 7 0 57 372.517 5 ↓
Mid Mid (pH 6-8) 1.03 9.7 -93.04 2 7 2 59 374.533 5 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3R)-3,4-dimethylpiperazin-1-yl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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) 0.22 6.46 -54.05 1 7 1 58 345.471 5 ↓
Hi High (pH 8-9.5) 0.22 4.38 -14.96 0 7 0 57 344.463 5 ↓
Mid Mid (pH 6-8) 0.22 8.77 -96.39 2 7 2 59 346.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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) 0.22 6.47 -54 1 7 1 58 345.471 5 ↓
Hi High (pH 8-9.5) 0.22 4.4 -14.71 0 7 0 57 344.463 5 ↓
Mid Mid (pH 6-8) 0.22 8.79 -97.36 2 7 2 59 346.479 5 ↓

Parameters Provided:

ring.id = 285689
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 = 285689 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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