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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19727102
19727102

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol (6R)-3,6,7,8-tetrahydro-2H-cyclo…

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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) 0.87 2.14 -9.55 1 3 0 39 192.214 0 ↓

Analogs

19727101
19727101

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-ol (6S)-3,6,7,8-tetrahydro-2H-cyclo…

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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) 0.87 2.14 -9.76 1 3 0 39 192.214 0 ↓

Analogs

19727150
19727150

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxine (6R)-6-chloro-3,6,7,8-tetrahydro…

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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) 2.25 6.05 -6.13 0 2 0 18 210.66 0 ↓

Analogs

19727149
19727149

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-chloro-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxine (6S)-6-chloro-3,6,7,8-tetrahydro…

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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) 2.25 6.04 -6.47 0 2 0 18 210.66 0 ↓

Analogs

19727386
19727386

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-6-(aminomethyl)-2,3,7,8-tetrahydrocyclopenta[g][1,4]benzodioxin-6-ol (6R)-6-(aminomethyl)-2,3,7,8-tet…

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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) -0.11 0.2 -47.62 4 4 1 66 222.264 1 ↓
Hi High (pH 8-9.5) -0.11 -0.11 -10.4 3 4 0 65 221.256 1 ↓

Analogs

19727385
19727385

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-(aminomethyl)-2,3,7,8-tetrahydrocyclopenta[g][1,4]benzodioxin-6-ol (6S)-6-(aminomethyl)-2,3,7,8-tet…

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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) -0.11 0.39 -57.87 4 4 1 66 222.264 1 ↓
Hi High (pH 8-9.5) -0.11 0.02 -9.03 3 4 0 65 221.256 1 ↓

Analogs

41213662
41213662
41213664
41213664
41213666
41213666

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,8S)-6-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-8-amine (6R,8S)-6-methyl-3,6,7,8-tetrahy…

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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) -0.50 3.41 -48.49 3 3 1 46 206.265 0 ↓

Analogs

41213664
41213664
41213666
41213666
41213660
41213660

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,8S)-6-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-8-amine (6S,8S)-6-methyl-3,6,7,8-tetrahy…

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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) -0.50 3.39 -47.94 3 3 1 46 206.265 0 ↓

Analogs

41213666
41213666
41213660
41213660
41213662
41213662

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,8R)-6-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-8-amine (6R,8R)-6-methyl-3,6,7,8-tetrahy…

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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) -0.50 3.41 -48.37 3 3 1 46 206.265 0 ↓

Analogs

41213660
41213660
41213662
41213662
41213664
41213664

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,8R)-6-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-8-amine (6S,8R)-6-methyl-3,6,7,8-tetrahy…

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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) -0.50 3.41 -48.44 3 3 1 46 206.265 0 ↓

Parameters Provided:

ring.id = 52356
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 = 52356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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