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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: (4R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (4R)-2,2-dimethyl-N-[(1-methylim…

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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) 0.84 4.06 -30.5 2 4 1 40 224.328 3 ↓
Hi High (pH 8-9.5) 0.84 3.61 -7.02 1 4 0 39 223.32 3 ↓
Mid Mid (pH 6-8) 0.84 4.77 -44.21 2 4 1 44 224.328 3 ↓

Analogs

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Popular Name: (4S)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (4S)-2,2-dimethyl-N-[(1-methylim…

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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) 0.84 4.04 -30.82 2 4 1 40 224.328 3 ↓
Hi High (pH 8-9.5) 0.84 3.59 -6.78 1 4 0 39 223.32 3 ↓
Mid Mid (pH 6-8) 0.84 5.23 -111.2 3 4 2 45 225.336 3 ↓

Analogs

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Popular Name: (2R,4R)-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (2R,4R)-2-ethyl-N-[(1-methylimid…

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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) 0.90 4.5 -30.12 2 4 1 40 224.328 4 ↓
Hi High (pH 8-9.5) 0.90 4.05 -6.85 1 4 0 39 223.32 4 ↓
Mid Mid (pH 6-8) 0.90 5.22 -44.17 2 4 1 44 224.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (2S,4R)-2-ethyl-N-[(1-methylimid…

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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) 0.90 4.77 -30.39 2 4 1 40 224.328 4 ↓
Hi High (pH 8-9.5) 0.90 4.32 -6.7 1 4 0 39 223.32 4 ↓
Mid Mid (pH 6-8) 0.90 5.86 -109.57 3 4 2 45 225.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-[(1-methylimid…

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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) 0.90 4.97 -30.79 2 4 1 40 224.328 4 ↓
Hi High (pH 8-9.5) 0.90 4.52 -6.46 1 4 0 39 223.32 4 ↓
Mid Mid (pH 6-8) 0.90 5.34 -41.57 2 4 1 44 224.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (2S,4S)-2-ethyl-N-[(1-methylimid…

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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) 0.90 4.48 -30.37 2 4 1 40 224.328 4 ↓
Hi High (pH 8-9.5) 0.90 4.03 -6.68 1 4 0 39 223.32 4 ↓
Mid Mid (pH 6-8) 0.90 5.69 -110.54 3 4 2 45 225.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (2R,4R)-2-methyl-N-[(1-methylimi…

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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 3.67 -30.27 2 4 1 40 210.301 3 ↓
Hi High (pH 8-9.5) 0.40 3.22 -7.01 1 4 0 39 209.293 3 ↓
Mid Mid (pH 6-8) 0.40 4.87 -109.82 3 4 2 45 211.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (2S,4R)-2-methyl-N-[(1-methylimi…

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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 3.42 -30.28 2 4 1 40 210.301 3 ↓
Hi High (pH 8-9.5) 0.40 2.96 -6.94 1 4 0 39 209.293 3 ↓
Mid Mid (pH 6-8) 0.40 4.59 -109.67 3 4 2 45 211.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (2R,4S)-2-methyl-N-[(1-methylimi…

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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 3.39 -30.5 2 4 1 40 210.301 3 ↓
Hi High (pH 8-9.5) 0.40 2.94 -6.76 1 4 0 39 209.293 3 ↓
Mid Mid (pH 6-8) 0.40 4.13 -42.5 2 4 1 44 210.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]tetrahydropyran-4-amine (2S,4S)-2-methyl-N-[(1-methylimi…

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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 3.66 -30.52 2 4 1 40 210.301 3 ↓
Hi High (pH 8-9.5) 0.40 3.21 -6.85 1 4 0 39 209.293 3 ↓
Mid Mid (pH 6-8) 0.40 4.86 -110.01 3 4 2 45 211.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]tetrahydropyran-4-amine N-[(1S)-1-(1-methylimidazol-2-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) 0.59 3.58 -30.54 2 4 1 40 210.301 3 ↓
Hi High (pH 8-9.5) 0.59 3.05 -6.69 1 4 0 39 209.293 3 ↓
Mid Mid (pH 6-8) 0.59 3.73 -37.41 2 4 1 44 210.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-methylimidazol-2-yl)ethyl]tetrahydropyran-4-amine N-[(1R)-1-(1-methylimidazol-2-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) 0.59 3.72 -27.91 2 4 1 40 210.301 3 ↓
Hi High (pH 8-9.5) 0.59 2.94 -8.56 1 4 0 39 209.293 3 ↓
Mid Mid (pH 6-8) 0.59 3.74 -37.4 2 4 1 44 210.301 3 ↓

Parameters Provided:

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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 = 327722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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