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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclobutylmethyl(methyl)amino]methyl]thiazol-2-amine 4-[[cyclobutylmethyl(methyl)amin…

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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) 1.56 5.51 -33.14 3 3 1 43 212.342 4 ↓
Hi High (pH 8-9.5) 1.56 3.13 -4.64 2 3 0 42 211.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclobutylmethyl(methyl)amino]methyl]thiazole-2-carboxylic 4-[[cyclobutylmethyl(methyl)amin…

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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) 1.26 7.07 -58.16 1 4 0 57 240.328 5 ↓
Hi High (pH 8-9.5) 1.26 4.67 -47.26 0 4 -1 56 239.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(aminomethyl)thiazol-4-yl]-N-(cyclobutylmethyl)-N-methyl-methanamine 1-[2-(aminomethyl)thiazol-4-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) 0.87 4.58 -95.82 4 3 2 45 227.377 5 ↓
Hi High (pH 8-9.5) 0.87 1.8 -4.85 2 3 0 42 225.361 5 ↓
Mid Mid (pH 6-8) 0.87 4.18 -33.88 3 3 1 43 226.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-[[cyclobutylmethyl(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) 2.43 8.27 -87.75 3 3 2 34 283.485 7 ↓
Hi High (pH 8-9.5) 2.43 4.64 -3.86 1 3 0 28 281.469 7 ↓
Hi High (pH 8-9.5) 2.43 7.02 -32.95 2 3 1 29 282.477 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-[[cyclobutylmethyl(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) 2.37 8.76 -92.15 3 3 2 34 283.485 8 ↓
Hi High (pH 8-9.5) 2.37 5.16 -3.79 1 3 0 28 281.469 8 ↓
Hi High (pH 8-9.5) 2.37 7.39 -33.15 2 3 1 29 282.477 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[cyclobutylmethyl(methyl)amino]methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[[cyclobutylmethyl(methyl)a…

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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 6.46 -90.55 3 3 2 34 241.404 6 ↓
Hi High (pH 8-9.5) 1.25 5.01 -33.41 2 3 1 29 240.396 6 ↓
Hi High (pH 8-9.5) 1.25 2.63 -4.33 1 3 0 28 239.388 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[cyclobutylmethyl(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) 1.62 7.31 -90.09 3 3 2 34 255.431 7 ↓
Hi High (pH 8-9.5) 1.62 5.94 -33.18 2 3 1 29 254.423 7 ↓
Hi High (pH 8-9.5) 1.62 3.56 -4.14 1 3 0 28 253.415 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[[cyclobutylmethyl(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) 2.12 8.07 -91.67 3 3 2 34 269.458 8 ↓
Hi High (pH 8-9.5) 2.12 5.69 -37.95 2 3 1 33 268.45 8 ↓
Hi High (pH 8-9.5) 2.12 6.71 -33.17 2 3 1 29 268.45 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[[cyclobutylmethyl(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) 1.92 7.85 -89.14 3 3 2 34 269.458 7 ↓
Hi High (pH 8-9.5) 1.92 4.26 -3.98 1 3 0 28 267.442 7 ↓
Hi High (pH 8-9.5) 1.92 6.62 -33.07 2 3 1 29 268.45 7 ↓

Analogs

37985075
37985075
44608679
44608679

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-(2-methylthiazol-4-yl)methanamine N-(cyclobutylmethyl)-1-(2-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) 1.42 5.08 -36.92 2 2 1 29 197.327 4 ↓
Hi High (pH 8-9.5) 1.42 3.73 -4.77 1 2 0 25 196.319 4 ↓

Analogs

44516004
44516004
44516006
44516006
44517624
44517624
44517625
44517625
45628962
45628962

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-1-(2,5-dimethylthiazol-4-yl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(2,5…

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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) 2.21 6.42 -33.21 2 2 1 29 225.381 4 ↓
Hi High (pH 8-9.5) 2.21 5.23 -4.27 1 2 0 25 224.373 4 ↓

Analogs

44516004
44516004
44516006
44516006
44517624
44517624
44517625
44517625
45628962
45628962

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)-1-(2,5-dimethylthiazol-4-yl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(2,5…

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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) 2.21 6.41 -33.06 2 2 1 29 225.381 4 ↓
Hi High (pH 8-9.5) 2.21 5.18 -4.32 1 2 0 25 224.373 4 ↓

Parameters Provided:

ring.id = 217616
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 = 217616 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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