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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-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-[[(3R)-3-methylpyrrolidin-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) 0.91 2.62 -41.68 3 3 1 42 226.369 4 ↓
Lo Low (pH 4.5-6) 0.91 3.77 -103.14 4 3 2 46 227.377 4 ↓

Analogs

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Popular Name: N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-[[(3S)-3-methylpyrrolidin-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) 0.91 2.44 -39.49 3 3 1 42 226.369 4 ↓
Lo Low (pH 4.5-6) 0.91 3.73 -100.11 4 3 2 46 227.377 4 ↓

Analogs

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Popular Name: 1-[(3S)-3-ethylpyrrolidin-3-yl]-N-[(2-methylthiazol-4-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) 1.25 3.13 -39.84 3 3 1 42 240.396 5 ↓
Lo Low (pH 4.5-6) 1.25 4.32 -108.01 4 3 2 46 241.404 5 ↓

Analogs

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Popular Name: 1-[(3R)-3-ethylpyrrolidin-3-yl]-N-[(2-methylthiazol-4-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) 1.25 2.95 -40.44 3 3 1 42 240.396 5 ↓
Lo Low (pH 4.5-6) 1.25 4.23 -104.41 4 3 2 46 241.404 5 ↓

Analogs

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Popular Name: N-[(2-methylthiazol-4-yl)methyl]-1-[(3S)-3-propylpyrrolidin-3-yl]methanamine N-[(2-methylthiazol-4-yl)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) 1.81 3.9 -40.36 3 3 1 42 254.423 6 ↓
Lo Low (pH 4.5-6) 1.81 5.06 -109.8 4 3 2 46 255.431 6 ↓

Analogs

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Popular Name: N-[(2-methylthiazol-4-yl)methyl]-1-[(3R)-3-propylpyrrolidin-3-yl]methanamine N-[(2-methylthiazol-4-yl)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) 1.81 3.73 -41 3 3 1 42 254.423 6 ↓
Lo Low (pH 4.5-6) 1.81 5 -106.64 4 3 2 46 255.431 6 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-3-methylpyrrolidin-3-yl]-N-(thiazol-4-ylmethyl)methanamine N-methyl-1-[(3S)-3-methylpyrroli…

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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) 1.44 3.03 -42.68 2 3 1 33 226.369 4 ↓
Lo Low (pH 4.5-6) 1.44 4.8 -102.16 3 3 2 34 227.377 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-3-methylpyrrolidin-3-yl]-N-(thiazol-4-ylmethyl)methanamine N-methyl-1-[(3R)-3-methylpyrroli…

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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) 1.44 2.92 -40.82 2 3 1 33 226.369 4 ↓
Lo Low (pH 4.5-6) 1.44 4.58 -99.84 3 3 2 34 227.377 4 ↓

Analogs

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Popular Name: 1-[(3S)-3-ethylpyrrolidin-3-yl]-N-methyl-N-(thiazol-4-ylmethyl)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) 1.78 3.33 -41.07 2 3 1 33 240.396 5 ↓
Lo Low (pH 4.5-6) 1.78 5.08 -104.22 3 3 2 34 241.404 5 ↓

Analogs

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Popular Name: 1-[(3R)-3-ethylpyrrolidin-3-yl]-N-methyl-N-(thiazol-4-ylmethyl)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) 1.78 3.66 -38.48 2 3 1 33 240.396 5 ↓
Lo Low (pH 4.5-6) 1.78 5.25 -100.9 3 3 2 34 241.404 5 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-3-propylpyrrolidin-3-yl]-N-(thiazol-4-ylmethyl)methanamine N-methyl-1-[(3S)-3-propylpyrroli…

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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) 2.34 5.03 -36.68 2 3 1 33 254.423 6 ↓
Lo Low (pH 4.5-6) 2.34 6.05 -104.73 3 3 2 34 255.431 6 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-3-propylpyrrolidin-3-yl]-N-(thiazol-4-ylmethyl)methanamine N-methyl-1-[(3R)-3-propylpyrroli…

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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) 2.34 6.01 -41.55 2 3 1 33 254.423 6 ↓
Lo Low (pH 4.5-6) 2.34 5.69 -103.59 3 3 2 34 255.431 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-methyl-N-[[(3R)-3-methylpyrrol…

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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 3.67 -41.08 2 3 1 33 240.396 4 ↓
Lo Low (pH 4.5-6) 1.16 5.34 -99.76 3 3 2 34 241.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-1-(2-methylthiazol-4-yl)methanamine N-methyl-N-[[(3S)-3-methylpyrrol…

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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 3.35 -40.24 2 3 1 33 240.396 4 ↓
Lo Low (pH 4.5-6) 1.16 5.19 -101.64 3 3 2 34 241.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-ethylpyrrolidin-3-yl]-N-methyl-N-[(2-methylthiazol-4-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) 1.49 4.08 -41.23 2 3 1 33 254.423 5 ↓
Lo Low (pH 4.5-6) 1.49 5.82 -104.22 3 3 2 34 255.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-ethylpyrrolidin-3-yl]-N-methyl-N-[(2-methylthiazol-4-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) 1.49 4.38 -38.66 2 3 1 33 254.423 5 ↓
Lo Low (pH 4.5-6) 1.49 5.97 -100.91 3 3 2 34 255.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(2-methylthiazol-4-yl)methyl]-1-[(3S)-3-propylpyrrolidin-3-yl]methanamine N-methyl-N-[(2-methylthiazol-4-y…

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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) 2.05 5.75 -36.63 2 3 1 33 268.45 6 ↓
Lo Low (pH 4.5-6) 2.05 6.76 -104.73 3 3 2 34 269.458 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(2-methylthiazol-4-yl)methyl]-1-[(3R)-3-propylpyrrolidin-3-yl]methanamine N-methyl-N-[(2-methylthiazol-4-y…

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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) 2.05 6.74 -41.69 2 3 1 33 268.45 6 ↓
Lo Low (pH 4.5-6) 2.05 6.43 -103.64 3 3 2 34 269.458 6 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 306748 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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