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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: N-[(R)-(1-methylimidazol-2-yl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(R)-(1-methylimidazol-2-yl)-p…

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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) 0.28 4.56 -25.42 2 5 1 57 232.311 5 ↓
Mid Mid (pH 6-8) 0.28 4.75 -32.97 2 5 1 60 232.311 5 ↓
Mid Mid (pH 6-8) 0.28 3.65 -11.52 1 5 0 56 231.303 5 ↓

Analogs

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Popular Name: N-[(S)-(1-methylimidazol-2-yl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(S)-(1-methylimidazol-2-yl)-p…

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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) 0.28 4.67 -27.9 2 5 1 57 232.311 5 ↓
Mid Mid (pH 6-8) 0.28 4.76 -32.6 2 5 1 60 232.311 5 ↓
Mid Mid (pH 6-8) 0.28 3.87 -10.13 1 5 0 56 231.303 5 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(1-propylimidazol-2-yl)-1-pyrimidin-2-yl-methanamine (1S)-N-methyl-1-(1-propylimidazo…

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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) 0.28 4.14 -24.74 2 5 1 57 232.311 5 ↓
Mid Mid (pH 6-8) 0.28 3.63 -11.14 1 5 0 56 231.303 5 ↓
Lo Low (pH 4.5-6) 0.28 5.79 -94.15 3 5 2 61 233.319 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(1-propylimidazol-2-yl)-1-pyrimidin-2-yl-methanamine (1R)-N-methyl-1-(1-propylimidazo…

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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) 0.28 4.44 -27.23 2 5 1 57 232.311 5 ↓
Mid Mid (pH 6-8) 0.28 3.69 -10.74 1 5 0 56 231.303 5 ↓
Lo Low (pH 4.5-6) 0.28 4.82 -94.48 3 5 2 61 233.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-propylimidazol-2-yl)-pyrimidin-2-yl-methyl]ethanamine N-[(S)-(1-propylimidazol-2-yl)-p…

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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) 0.65 5.48 -24.68 2 5 1 57 246.338 6 ↓
Mid Mid (pH 6-8) 0.65 4.54 -10.88 1 5 0 56 245.33 6 ↓
Mid Mid (pH 6-8) 0.65 5.66 -31.41 2 5 1 60 246.338 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-propylimidazol-2-yl)-pyrimidin-2-yl-methyl]ethanamine N-[(R)-(1-propylimidazol-2-yl)-p…

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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) 0.65 4.6 -27.15 2 5 1 57 246.338 6 ↓
Mid Mid (pH 6-8) 0.65 4.63 -10.53 1 5 0 56 245.33 6 ↓
Mid Mid (pH 6-8) 0.65 5.8 -31.82 2 5 1 60 246.338 6 ↓

Analogs

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Popular Name: N-[(R)-(1-ethylimidazol-2-yl)-pyrimidin-2-yl-methyl]ethanamine N-[(R)-(1-ethylimidazol-2-yl)-py…

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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) 0.15 4.07 -24.85 2 5 1 57 232.311 5 ↓
Mid Mid (pH 6-8) 0.15 5.04 -32.09 2 5 1 60 232.311 5 ↓
Mid Mid (pH 6-8) 0.15 3.85 -11.27 1 5 0 56 231.303 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-pyrimidin-2-yl-methyl]ethanamine N-[(S)-(1-ethylimidazol-2-yl)-py…

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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) 0.15 4.65 -27.32 2 5 1 57 232.311 5 ↓
Mid Mid (pH 6-8) 0.15 3.79 -10.75 1 5 0 56 231.303 5 ↓
Mid Mid (pH 6-8) 0.15 4.9 -31.56 2 5 1 60 232.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-propylimidazol-2-yl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(R)-(1-propylimidazol-2-yl)-p…

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Activity (Go SEA)

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) 1.16 5.59 -24.57 2 5 1 57 260.365 7 ↓
Mid Mid (pH 6-8) 1.16 6.55 -32.09 2 5 1 60 260.365 7 ↓
Mid Mid (pH 6-8) 1.16 5.36 -10.74 1 5 0 56 259.357 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-propylimidazol-2-yl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(S)-(1-propylimidazol-2-yl)-p…

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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) 1.16 6.24 -27.69 2 5 1 57 260.365 7 ↓
Mid Mid (pH 6-8) 1.16 5.3 -10.17 1 5 0 56 259.357 7 ↓
Mid Mid (pH 6-8) 1.16 6.38 -31.54 2 5 1 60 260.365 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-ethylimidazol-2-yl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(R)-(1-ethylimidazol-2-yl)-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.65 4.85 -24.98 2 5 1 57 246.338 6 ↓
Mid Mid (pH 6-8) 0.65 5.82 -32.49 2 5 1 60 246.338 6 ↓
Mid Mid (pH 6-8) 0.65 4.59 -11.12 1 5 0 56 245.33 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-pyrimidin-2-yl-methyl]propan-1-amine N-[(S)-(1-ethylimidazol-2-yl)-py…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.65 5.55 -27.28 2 5 1 57 246.338 6 ↓
Mid Mid (pH 6-8) 0.65 4.55 -10.53 1 5 0 56 245.33 6 ↓
Mid Mid (pH 6-8) 0.65 5.66 -31.84 2 5 1 60 246.338 6 ↓

Parameters Provided:

ring.id = 345723
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 = 345723 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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