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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: 1-(1,3-benzothiazol-2-ylmethyl)-N-[(1R)-1,2-dimethylpropyl]piperidine-4-carboxamide 1-(1,3-benzothiazol-2-ylmethyl)-…

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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) 3.24 6.58 -14.24 1 4 0 45 345.512 5 ↓
Mid Mid (pH 6-8) 3.24 8.81 -47.97 2 4 1 46 346.52 5 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-[(1S)-1,2-dimethylpropyl]piperidine-4-carboxamide 1-(1,3-benzothiazol-2-ylmethyl)-…

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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) 3.24 7.07 -13.68 1 4 0 45 345.512 5 ↓
Mid Mid (pH 6-8) 3.24 9.35 -47.55 2 4 1 46 346.52 5 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-methyl-piperidine-4-carboxylic 1-(1,3-benzothiazol-2-ylmethyl)-…

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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) 2.17 8.86 -60.47 1 4 0 57 290.388 3 ↓
Hi High (pH 8-9.5) 2.17 6.6 -52.42 0 4 -1 56 289.38 3 ↓

Analogs

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Popular Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-piperidine-4-carboxylic 1-(1,3-benzothiazol-2-ylmethyl)-…

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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) 2.50 9.39 -47.03 1 4 0 57 304.415 4 ↓
Hi High (pH 8-9.5) 2.50 7.1 -51.64 0 4 -1 56 303.407 4 ↓

Analogs

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Popular Name: (3S)-1-(1,3-benzothiazol-2-ylmethyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(1,3-benzothiazol-2-ylmet…

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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) 2.17 9.04 -46.17 1 4 0 57 290.388 3 ↓
Hi High (pH 8-9.5) 2.17 7.17 -47.97 0 4 -1 56 289.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3-benzothiazol-2-ylmethyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(1,3-benzothiazol-2-ylmet…

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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) 2.17 8.78 -46.77 1 4 0 57 290.388 3 ↓
Hi High (pH 8-9.5) 2.17 6.93 -49.6 0 4 -1 56 289.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(1,3-benzothiazol-2-ylmet…

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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) 2.50 9.34 -43.18 1 4 0 57 304.415 4 ↓
Hi High (pH 8-9.5) 2.50 7.78 -55.37 0 4 -1 56 303.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(1,3-benzothiazol-2-ylmet…

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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) 2.50 9.63 -37.83 1 4 0 57 304.415 4 ↓
Hi High (pH 8-9.5) 2.50 7.97 -50.98 0 4 -1 56 303.407 4 ↓

Analogs

8324408
8324408

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidyl]ethanamine 2-[1-(1,3-benzothiazol-2-ylmethy…

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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) 1.94 6.42 -97.57 4 3 2 45 277.437 4 ↓
Mid Mid (pH 6-8) 1.94 4.2 -48.58 3 3 1 44 276.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[(1S)-1-(1,3-benzothiazol-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) 3.48 8.84 -88.81 3 3 2 34 305.491 5 ↓
Mid Mid (pH 6-8) 3.48 7.01 -42.21 2 3 1 33 304.483 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[(1R)-1-(1,3-benzothiazol-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) 3.48 8.84 -90.5 3 3 2 34 305.491 5 ↓
Mid Mid (pH 6-8) 3.48 6.63 -43.38 2 3 1 33 304.483 5 ↓

Analogs

8324408
8324408

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidyl]-N-methyl-ethanamine 2-[1-(1,3-benzothiazol-2-ylmethy…

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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) 2.92 8.53 -93.46 3 3 2 34 291.464 5 ↓
Mid Mid (pH 6-8) 2.92 6.26 -43.58 2 3 1 33 290.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[(1S)-1-(1,3-benzothia…

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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) 3.42 6.88 -46.69 2 3 1 33 304.483 5 ↓
Lo Low (pH 4.5-6) 3.42 8.96 -103.91 3 3 2 34 305.491 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[(1R)-1-(1,3-benzothia…

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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) 3.42 6.83 -42.86 2 3 1 33 304.483 5 ↓
Lo Low (pH 4.5-6) 3.42 8.89 -101.06 3 3 2 34 305.491 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(1,3-benzothiazol-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) 2.86 6.71 -46.04 2 3 1 33 290.456 5 ↓
Lo Low (pH 4.5-6) 2.86 8.35 -106.96 3 3 2 34 291.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(1,3-benzothiazol-2-ylmethyl)-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(1,3-benzothiazol-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) 2.86 6.01 -44.29 2 3 1 33 290.456 5 ↓
Lo Low (pH 4.5-6) 2.86 8.13 -105.04 3 3 2 34 291.464 5 ↓

Parameters Provided:

ring.id = 184162
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 = 184162 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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