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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: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-methyl-1,3-benzothiazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.17 7.83 -36.7 2 2 1 29 273.425 1 ↓
Hi High (pH 8-9.5) 4.17 6.61 -6.5 1 2 0 25 272.417 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-methyl-1,3-benzothiazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.17 7.84 -35.36 2 2 1 29 273.425 1 ↓
Hi High (pH 8-9.5) 4.17 6.59 -5.91 1 2 0 25 272.417 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-methyl-1,3-benzothiazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.17 7.8 -36.67 2 2 1 29 273.425 1 ↓
Hi High (pH 8-9.5) 4.17 6.56 -6.23 1 2 0 25 272.417 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-methyl-1,3-benzothiazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.17 7.77 -36.38 2 2 1 29 273.425 1 ↓
Hi High (pH 8-9.5) 4.17 6.49 -5.81 1 2 0 25 272.417 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-fluoro-1,3-benzothiazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.89 7.24 -38.87 2 2 1 29 277.388 1 ↓
Hi High (pH 8-9.5) 3.89 6.03 -5.62 1 2 0 25 276.38 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-fluoro-1,3-benzothiazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.89 7.26 -38.12 2 2 1 29 277.388 1 ↓
Hi High (pH 8-9.5) 3.89 6 -5.39 1 2 0 25 276.38 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-fluoro-1,3-benzothiazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.89 7.21 -39.17 2 2 1 29 277.388 1 ↓
Hi High (pH 8-9.5) 3.89 5.97 -5.29 1 2 0 25 276.38 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-fluoro-1,3-benzothiazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 3.89 7.18 -39 2 2 1 29 277.388 1 ↓
Hi High (pH 8-9.5) 3.89 5.9 -5.12 1 2 0 25 276.38 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-bromo-1,3-benzothiazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.53 7.77 -38.16 2 2 1 29 338.294 1 ↓
Hi High (pH 8-9.5) 4.53 6.56 -5.02 1 2 0 25 337.286 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-bromo-1,3-benzothiazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.53 7.79 -37.37 2 2 1 29 338.294 1 ↓
Hi High (pH 8-9.5) 4.53 6.53 -4.67 1 2 0 25 337.286 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-bromo-1,3-benzothiazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.53 7.74 -38.43 2 2 1 29 338.294 1 ↓
Hi High (pH 8-9.5) 4.53 6.5 -4.66 1 2 0 25 337.286 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-5-bromo-1,3-benzothiazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.53 7.71 -38.23 2 2 1 29 338.294 1 ↓
Hi High (pH 8-9.5) 4.53 6.44 -4.52 1 2 0 25 337.286 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-7-chloro-1,3-benzothiazole 2-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.38 8.05 -37.44 2 2 1 29 293.843 1 ↓
Hi High (pH 8-9.5) 4.38 6.7 -6.06 1 2 0 25 292.835 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-7-chloro-1,3-benzothiazole 2-[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.38 7.74 -34.59 2 2 1 29 293.843 1 ↓
Hi High (pH 8-9.5) 4.38 6.5 -4.62 1 2 0 25 292.835 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-7-chloro-1,3-benzothiazole 2-[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.38 7.73 -36.93 2 2 1 29 293.843 1 ↓
Hi High (pH 8-9.5) 4.38 6.36 -6.65 1 2 0 25 292.835 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-7-chloro-1,3-benzothiazole 2-[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7…

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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) 4.38 7.64 -36.39 2 2 1 29 293.843 1 ↓
Hi High (pH 8-9.5) 4.38 6.37 -4.92 1 2 0 25 292.835 1 ↓

Parameters Provided:

ring.id = 547133
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 = 547133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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