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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-dimethyl-6-[[[(1R,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1R,2S)-1-meth…

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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) 0.40 6.23 -64.99 2 7 1 78 306.39 5 ↓
Mid Mid (pH 6-8) 0.40 5.24 -13.67 1 7 0 74 305.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1R,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1R,2R)-1-meth…

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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) 0.40 5.7 -64.92 2 7 1 78 306.39 5 ↓
Mid Mid (pH 6-8) 0.40 4.59 -14.83 1 7 0 74 305.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1S,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1S,2S)-1-meth…

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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) 0.40 5.73 -64.48 2 7 1 78 306.39 5 ↓
Mid Mid (pH 6-8) 0.40 4.7 -13.01 1 7 0 74 305.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1S,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1S,2R)-1-meth…

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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) 0.40 6.23 -65.99 2 7 1 78 306.39 5 ↓
Mid Mid (pH 6-8) 0.40 4.97 -15.5 1 7 0 74 305.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1R)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1R)-1-methyl-…

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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 5.72 -59.21 2 7 1 78 292.363 5 ↓
Mid Mid (pH 6-8) 0.04 4.33 -14.18 1 7 0 74 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1S)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1S)-1-methyl-…

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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 6.01 -52.17 2 7 1 78 292.363 5 ↓
Mid Mid (pH 6-8) 0.04 4.87 -10.97 1 7 0 74 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1S,2R)-1-methyl-2-pyrazol-1-yl-propyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1S,2R)-1-meth…

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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 5.56 -66.27 2 7 1 78 292.363 5 ↓
Mid Mid (pH 6-8) 0.02 4.3 -15.76 1 7 0 74 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1R,2R)-1-methyl-2-pyrazol-1-yl-propyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1R,2R)-1-meth…

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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 5.01 -65.01 2 7 1 78 292.363 5 ↓
Mid Mid (pH 6-8) 0.02 3.9 -15.03 1 7 0 74 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1S,2S)-1-methyl-2-pyrazol-1-yl-propyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1S,2S)-1-meth…

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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 5.06 -64.57 2 7 1 78 292.363 5 ↓
Mid Mid (pH 6-8) 0.02 4.03 -13.17 1 7 0 74 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[[(1R,2S)-1-methyl-2-pyrazol-1-yl-propyl]amino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[[(1R,2S)-1-meth…

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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 5.55 -65.05 2 7 1 78 292.363 5 ↓
Mid Mid (pH 6-8) 0.02 4.56 -13.87 1 7 0 74 291.355 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[[2-(4-methylpyra…

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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) -0.29 3.61 -13.5 1 7 0 74 277.328 5 ↓
Mid Mid (pH 6-8) -0.29 4.98 -66.47 2 7 1 78 278.336 5 ↓

Parameters Provided:

ring.id = 353950
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 = 353950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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