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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: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)cyclohexanamine 1-(4,5-dihydrothieno[3,2-e][1,3]…

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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) 3.92 6.83 -45.34 3 2 1 41 291.465 1 ↓
Hi High (pH 8-9.5) 3.92 6.56 -7.71 2 2 0 39 290.457 1 ↓

Analogs

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Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-methyl-cyclohexanamine 1-(4,5-dihydrothieno[3,2-e][1,3]…

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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) 3.69 7.23 -46.05 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.69 7.01 -6.84 2 2 0 39 304.484 1 ↓

Analogs

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Popular Name: (1R,3R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1R,3R)-1-(4,5-dihydrothieno[3,2…

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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) 3.92 7.44 -45.88 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.92 7.17 -7.67 2 2 0 39 304.484 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1R,3S)-1-(4,5-dihydrothieno[3,2…

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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) 3.92 7.38 -44.23 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.92 7.6 -7.13 2 2 0 39 304.484 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1S,3R)-1-(4,5-dihydrothieno[3,2…

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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) 3.92 7.38 -44.26 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.92 7.57 -7.13 2 2 0 39 304.484 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-3-methyl-cyclohexanamine (1S,3S)-1-(4,5-dihydrothieno[3,2…

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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) 3.92 7.44 -45.88 3 2 1 41 305.492 1 ↓
Hi High (pH 8-9.5) 3.92 7.24 -6.99 2 2 0 39 304.484 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,5-dihydrothieno[3,2-e][1,3]benzothiazol-2-yl)-4-ethyl-cyclohexanamine 1-(4,5-dihydrothieno[3,2-e][1,3]…

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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) 4.37 8.61 -48.65 3 2 1 41 319.519 2 ↓
Hi High (pH 8-9.5) 4.37 7.62 -6.74 2 2 0 39 318.511 2 ↓

Parameters Provided:

ring.id = 210612
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 = 210612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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