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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Popular Name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(3S)-3-methylpyrrolidin-3-yl]methanamine N-methyl-N-[(1-methylimidazol-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) 0.44 4.49 -78.99 3 4 2 39 224.352 4 ↓
Hi High (pH 8-9.5) 0.44 3.83 -44.01 2 4 1 38 223.344 4 ↓

Analogs

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Popular Name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(3R)-3-methylpyrrolidin-3-yl]methanamine N-methyl-N-[(1-methylimidazol-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) 0.44 4.72 -79.18 3 4 2 39 224.352 4 ↓
Hi High (pH 8-9.5) 0.44 4.07 -45.13 2 4 1 38 223.344 4 ↓

Analogs

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Popular Name: 1-[(3S)-3-ethylpyrrolidin-3-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine 1-[(3S)-3-ethylpyrrolidin-3-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) 0.77 5.5 -83.39 3 4 2 39 238.379 5 ↓
Hi High (pH 8-9.5) 0.77 5.37 -39.57 2 4 1 38 237.371 5 ↓

Analogs

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Popular Name: 1-[(3R)-3-ethylpyrrolidin-3-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine 1-[(3R)-3-ethylpyrrolidin-3-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) 0.77 6.88 -80.22 3 4 2 39 238.379 5 ↓
Hi High (pH 8-9.5) 0.77 6.38 -46.08 2 4 1 38 237.371 5 ↓

Analogs

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Popular Name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(3S)-3-propylpyrrolidin-3-yl]methanamine N-methyl-N-[(1-methylimidazol-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) 1.33 6.27 -84.26 3 4 2 39 252.406 6 ↓
Hi High (pH 8-9.5) 1.33 6.13 -40.06 2 4 1 38 251.398 6 ↓

Analogs

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Popular Name: N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(3R)-3-propylpyrrolidin-3-yl]methanamine N-methyl-N-[(1-methylimidazol-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) 1.33 5.68 -81.71 3 4 2 39 252.406 6 ↓
Hi High (pH 8-9.5) 1.33 5.51 -41.87 2 4 1 38 251.398 6 ↓

Analogs

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Popular Name: (1S)-1-(1-methylimidazol-2-yl)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-(1-methylimidazol-2-yl)-N…

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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) 0.75 5.78 -76.95 3 4 2 36 224.352 4 ↓
Hi High (pH 8-9.5) 0.75 5.03 -38.91 2 4 1 34 223.344 4 ↓

Analogs

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Popular Name: (1R)-1-(1-methylimidazol-2-yl)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-(1-methylimidazol-2-yl)-N…

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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) 0.75 5.72 -75.53 3 4 2 36 224.352 4 ↓
Hi High (pH 8-9.5) 0.75 5.15 -39.12 2 4 1 34 223.344 4 ↓

Analogs

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Popular Name: (1S)-1-(1-methylimidazol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-(1-methylimidazol-2-yl)-N…

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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) 0.75 5.82 -75.66 3 4 2 36 224.352 4 ↓
Hi High (pH 8-9.5) 0.75 5.06 -37.88 2 4 1 34 223.344 4 ↓

Analogs

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Popular Name: (1R)-1-(1-methylimidazol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-(1-methylimidazol-2-yl)-N…

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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) 0.75 5.73 -74.91 3 4 2 36 224.352 4 ↓
Hi High (pH 8-9.5) 0.75 5.15 -38.47 2 4 1 34 223.344 4 ↓

Parameters Provided:

ring.id = 306954
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 = 306954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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