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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methyl-4-piperidyl)methyl]-1-(2-methylthiazol-4-yl)methanamine N-[(4-methyl-4-piperidyl)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) 0.83 4.35 -97.9 4 3 2 46 241.404 4 ↓
Hi High (pH 8-9.5) 0.83 3.18 -41.94 3 3 1 42 240.396 4 ↓

Analogs

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Popular Name: N-methyl-1-(4-methyl-4-piperidyl)-N-(thiazol-4-ylmethyl)methanamine N-methyl-1-(4-methyl-4-piperidyl…

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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) 1.36 5.24 -94.66 3 3 2 34 241.404 4 ↓
Mid Mid (pH 6-8) 1.36 3.36 -40.63 2 3 1 33 240.396 4 ↓

Analogs

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Popular Name: N-methyl-N-[(4-methyl-4-piperidyl)methyl]-1-(2-methylthiazol-4-yl)methanamine N-methyl-N-[(4-methyl-4-piperidy…

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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) 1.08 6.27 -93.14 3 3 2 34 255.431 4 ↓
Mid Mid (pH 6-8) 1.08 4.53 -44.09 2 3 1 33 254.423 4 ↓

Analogs

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Popular Name: 1-(4-ethyl-4-piperidyl)-N-[(2-methylthiazol-4-yl)methyl]methanamine 1-(4-ethyl-4-piperidyl)-N-[(2-me…

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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) 1.17 4.82 -106.4 4 3 2 46 255.431 5 ↓
Hi High (pH 8-9.5) 1.17 3.64 -41.26 3 3 1 42 254.423 5 ↓

Analogs

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Popular Name: N-[(2-methylthiazol-4-yl)methyl]-1-(4-propyl-4-piperidyl)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) 1.73 5.57 -108.17 4 3 2 46 269.458 6 ↓
Hi High (pH 8-9.5) 1.73 4.4 -41.52 3 3 1 42 268.45 6 ↓

Analogs

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Popular Name: 1-(4-ethyl-4-piperidyl)-N-methyl-N-(thiazol-4-ylmethyl)methanamine 1-(4-ethyl-4-piperidyl)-N-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) 1.70 5.7 -96.12 3 3 2 34 255.431 5 ↓
Mid Mid (pH 6-8) 1.70 3.8 -41.26 2 3 1 33 254.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(4-propyl-4-piperidyl)-N-(thiazol-4-ylmethyl)methanamine N-methyl-1-(4-propyl-4-piperidyl…

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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) 2.26 6.47 -97.71 3 3 2 34 269.458 6 ↓
Mid Mid (pH 6-8) 2.26 4.57 -41.7 2 3 1 33 268.45 6 ↓

Analogs

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Popular Name: 1-(4-ethyl-4-piperidyl)-N-methyl-N-[(2-methylthiazol-4-yl)methyl]methanamine 1-(4-ethyl-4-piperidyl)-N-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) 1.41 6.82 -105.47 3 3 2 34 269.458 5 ↓
Mid Mid (pH 6-8) 1.41 5.21 -40.2 2 3 1 33 268.45 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(2-methylthiazol-4-yl)methyl]-1-(4-propyl-4-piperidyl)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) 1.97 7.58 -106.95 3 3 2 34 283.485 6 ↓
Mid Mid (pH 6-8) 1.97 5.97 -40.41 2 3 1 33 282.477 6 ↓

Analogs

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Popular Name: (2R)-1-[4-[[methyl-[(2-propylthiazol-4-yl)methyl]amino]methyl]-1-piperidyl]propan-2-ol (2R)-1-[4-[[methyl-[(2-propylthi…

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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) 2.23 8.07 -94.38 3 4 2 42 327.538 8 ↓
Hi High (pH 8-9.5) 2.23 3.7 -5.18 1 4 0 40 325.522 8 ↓
Mid Mid (pH 6-8) 2.23 5.97 -36.05 2 4 1 41 326.53 8 ↓

Analogs

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Popular Name: (2S)-1-[4-[[methyl-[(2-propylthiazol-4-yl)methyl]amino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[methyl-[(2-propylthi…

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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) 2.23 7.72 -93.28 3 4 2 42 327.538 8 ↓
Hi High (pH 8-9.5) 2.23 3.4 -5.67 1 4 0 40 325.522 8 ↓
Mid Mid (pH 6-8) 2.23 5.71 -31.9 2 4 1 41 326.53 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylthiazol-4-yl)-N-(4-piperidylmethyl)methanamine 1-(2-methylthiazol-4-yl)-N-(4-pi…

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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 3.96 -97.17 4 3 2 46 227.377 4 ↓
Hi High (pH 8-9.5) 0.59 2.72 -39.22 3 3 1 42 226.369 4 ↓

Analogs

44516004
44516004
44516006
44516006
44517624
44517624
44517625
44517625

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,5-dimethylthiazol-4-yl)-N-methyl-N-(4-piperidylmethyl)ethanamine (1R)-1-(2,5-dimethylthiazol-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) 1.61 7.19 -91.62 3 3 2 34 269.458 4 ↓
Mid Mid (pH 6-8) 1.61 5.17 -39.34 2 3 1 33 268.45 4 ↓

Analogs

44516004
44516004
44516006
44516006
44517624
44517624
44517625
44517625

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethylthiazol-4-yl)-N-methyl-N-(4-piperidylmethyl)ethanamine (1S)-1-(2,5-dimethylthiazol-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) 1.61 7.17 -91.6 3 3 2 34 269.458 4 ↓
Mid Mid (pH 6-8) 1.61 5.17 -39.12 2 3 1 33 268.45 4 ↓

Parameters Provided:

ring.id = 287867
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 = 287867 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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