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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: 2-[[[(1R)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[(1R)-1-methyl-2-(4-methylpy…

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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) 1.63 7.48 -45.99 2 6 1 69 298.37 5 ↓
Mid Mid (pH 6-8) 1.63 6.1 -16.93 1 6 0 64 297.362 5 ↓
Lo Low (pH 4.5-6) 1.63 6.54 -40.77 2 6 1 65 298.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[(1S)-1-methyl-2-(4-methylpy…

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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) 1.63 7.71 -41.28 2 6 1 69 298.37 5 ↓
Mid Mid (pH 6-8) 1.63 6.5 -16.2 1 6 0 64 297.362 5 ↓
Lo Low (pH 4.5-6) 1.63 6.95 -32.48 2 6 1 65 298.37 5 ↓

Analogs

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Popular Name: 2-[[[(1R,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[(1R,2S)-1-methyl-2-(4-methy…

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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) 1.99 7.99 -50.01 2 6 1 69 312.397 5 ↓
Mid Mid (pH 6-8) 1.99 7.01 -14.16 1 6 0 64 311.389 5 ↓
Lo Low (pH 4.5-6) 1.99 7.45 -40.04 2 6 1 65 312.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[(1R,2R)-1-methyl-2-(4-methy…

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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) 1.99 7.46 -50.18 2 6 1 69 312.397 5 ↓
Mid Mid (pH 6-8) 1.99 6.36 -16.29 1 6 0 64 311.389 5 ↓
Lo Low (pH 4.5-6) 1.99 6.8 -42.76 2 6 1 65 312.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[(1S,2S)-1-methyl-2-(4-methy…

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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) 1.99 7.51 -49.51 2 6 1 69 312.397 5 ↓
Mid Mid (pH 6-8) 1.99 6.47 -14.73 1 6 0 64 311.389 5 ↓
Lo Low (pH 4.5-6) 1.99 6.91 -39.72 2 6 1 65 312.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[(1S,2R)-1-methyl-2-(4-methy…

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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) 1.99 8 -50.67 2 6 1 69 312.397 5 ↓
Mid Mid (pH 6-8) 1.99 6.79 -16.04 1 6 0 64 311.389 5 ↓
Lo Low (pH 4.5-6) 1.99 7.23 -44.29 2 6 1 65 312.397 5 ↓

Analogs

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Popular Name: 9-methyl-2-[[[(1S,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4- 9-methyl-2-[[[(1S,2R)-1-methyl-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) 2.39 8.87 -50.44 2 6 1 69 326.424 5 ↓
Hi High (pH 8-9.5) 2.39 7.86 -14.08 1 6 0 64 325.416 5 ↓
Lo Low (pH 4.5-6) 2.39 8.17 -38.24 2 6 1 65 326.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-2-[[[(1R,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4- 9-methyl-2-[[[(1R,2R)-1-methyl-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) 2.39 8.32 -49.84 2 6 1 69 326.424 5 ↓
Hi High (pH 8-9.5) 2.39 7.22 -14.66 1 6 0 64 325.416 5 ↓
Lo Low (pH 4.5-6) 2.39 7.54 -36.5 2 6 1 65 326.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-2-[[[(1S,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4- 9-methyl-2-[[[(1S,2S)-1-methyl-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) 2.39 8.38 -49.1 2 6 1 69 326.424 5 ↓
Hi High (pH 8-9.5) 2.39 7.27 -14.42 1 6 0 64 325.416 5 ↓
Lo Low (pH 4.5-6) 2.39 7.59 -35.2 2 6 1 65 326.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-2-[[[(1R,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrido[1,2-a]pyrimidin-4- 9-methyl-2-[[[(1R,2S)-1-methyl-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) 2.39 8.86 -49.61 2 6 1 69 326.424 5 ↓
Hi High (pH 8-9.5) 2.39 7.63 -14.41 1 6 0 64 325.416 5 ↓
Lo Low (pH 4.5-6) 2.39 7.95 -35.65 2 6 1 65 326.424 5 ↓

Parameters Provided:

ring.id = 432104
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 = 432104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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