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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: (1S)-1-(1,3-benzothiazol-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine (1S)-1-(1,3-benzothiazol-2-yl)-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) -0.23 4.25 -45.06 3 4 1 58 259.358 3 ↓
Mid Mid (pH 6-8) -0.23 3.91 -9.74 2 4 0 57 258.35 3 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine (1R)-1-(1,3-benzothiazol-2-yl)-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) -0.23 4.25 -42.8 3 4 1 58 259.358 3 ↓
Mid Mid (pH 6-8) -0.23 3.95 -9.7 2 4 0 57 258.35 3 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (1S)-1-(1,3-benzothiazol-2-yl)-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) 0.22 5.25 -42.16 3 4 1 58 287.412 3 ↓
Mid Mid (pH 6-8) 0.22 4.96 -10.15 2 4 0 57 286.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (1R)-1-(1,3-benzothiazol-2-yl)-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) 0.22 5.23 -44.35 3 4 1 58 287.412 3 ↓
Mid Mid (pH 6-8) 0.22 4.91 -10.04 2 4 0 57 286.404 3 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (1S)-1-(1,3-benzothiazol-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) 2.03 6.01 -39.78 2 4 1 47 273.385 4 ↓
Mid Mid (pH 6-8) 2.03 5.1 -8.39 1 4 0 43 272.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (1R)-1-(1,3-benzothiazol-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) 2.03 5.98 -38.04 2 4 1 47 273.385 4 ↓
Mid Mid (pH 6-8) 2.03 4.97 -9.63 1 4 0 43 272.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (1S)-1-(1,3-benzothiazol-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) 2.47 6.62 -43.87 2 4 1 47 301.439 4 ↓
Mid Mid (pH 6-8) 2.47 5.67 -9.81 1 4 0 43 300.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (1R)-1-(1,3-benzothiazol-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) 2.47 7.01 -39.37 2 4 1 47 301.439 4 ↓
Mid Mid (pH 6-8) 2.47 5.76 -9.05 1 4 0 43 300.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (1S)-1-(1,3-benzothiazol-2-yl)-N…

Find On: PubMed — Wikipedia — Google

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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) 2.40 6.83 -37.97 2 4 1 47 287.412 5 ↓
Mid Mid (pH 6-8) 2.40 6.01 -8.13 1 4 0 43 286.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine (1R)-1-(1,3-benzothiazol-2-yl)-N…

Find On: PubMed — Wikipedia — Google

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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) 2.40 6.82 -36.51 2 4 1 47 287.412 5 ↓
Mid Mid (pH 6-8) 2.40 5.89 -9.35 1 4 0 43 286.404 5 ↓

Parameters Provided:

ring.id = 551468
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 = 551468 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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