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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

19727024
19727024

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Popular Name: (9R)-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-ol (9R)-2,3,6,7,8,9-hexahydrobenzo[…

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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) 1.39 2.82 -9.21 1 3 0 39 206.241 0 ↓

Analogs

19727023
19727023

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Popular Name: (9S)-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-ol (9S)-2,3,6,7,8,9-hexahydrobenzo[…

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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) 1.39 2.84 -9.2 1 3 0 39 206.241 0 ↓

Analogs

19727116
19727116

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-9-chloro-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine (9R)-9-chloro-2,3,6,7,8,9-hexahy…

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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) 2.77 6.56 -6.12 0 2 0 18 224.687 0 ↓

Analogs

19727115
19727115

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Popular Name: (9S)-9-chloro-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine (9S)-9-chloro-2,3,6,7,8,9-hexahy…

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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) 2.77 6.56 -6.16 0 2 0 18 224.687 0 ↓

Analogs

19727269
19727269

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Popular Name: (9R)-9-(aminomethyl)-3,6,7,8-tetrahydro-2H-benzo[g][1,4]benzodioxin-9-ol (9R)-9-(aminomethyl)-3,6,7,8-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) 0.40 0.93 -56.91 4 4 1 66 236.291 1 ↓
Hi High (pH 8-9.5) 0.40 0.33 -8.57 3 4 0 65 235.283 1 ↓

Analogs

19727268
19727268

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Popular Name: (9S)-9-(aminomethyl)-3,6,7,8-tetrahydro-2H-benzo[g][1,4]benzodioxin-9-ol (9S)-9-(aminomethyl)-3,6,7,8-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) 0.40 0.94 -56.94 4 4 1 66 236.291 1 ↓
Hi High (pH 8-9.5) 0.40 0.6 -8.74 3 4 0 65 235.283 1 ↓

Analogs

19727409
19727409

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-amine (9R)-2,3,6,7,8,9-hexahydrobenzo[…

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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) -0.31 3.38 -49.14 3 3 1 46 206.265 0 ↓

Analogs

19727408
19727408

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-amine (9S)-2,3,6,7,8,9-hexahydrobenzo[…

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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) -0.31 3.38 -49.13 3 3 1 46 206.265 0 ↓

Analogs

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Popular Name: (9R)-N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-amine (9R)-N-methyl-2,3,6,7,8,9-hexahy…

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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) 1.04 5.21 -40.85 2 3 1 35 220.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-amine (9S)-N-methyl-2,3,6,7,8,9-hexahy…

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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) 1.04 5.21 -40.81 2 3 1 35 220.292 1 ↓

Analogs

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Popular Name: (9R)-N-ethyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-amine (9R)-N-ethyl-2,3,6,7,8,9-hexahyd…

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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) 1.42 6.04 -39.37 2 3 1 35 234.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-ethyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-amine (9S)-N-ethyl-2,3,6,7,8,9-hexahyd…

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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) 1.42 6.04 -39.36 2 3 1 35 234.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-N-propyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-amine (9R)-N-propyl-2,3,6,7,8,9-hexahy…

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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) 1.92 6.8 -40.05 2 3 1 35 248.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-N-propyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-9-amine (9S)-N-propyl-2,3,6,7,8,9-hexahy…

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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) 1.92 6.8 -40.02 2 3 1 35 248.346 3 ↓

Analogs

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Popular Name: (9R)-9-bromo-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine (9R)-9-bromo-2,3,6,7,8,9-hexahyd…

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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) 2.90 6.66 -5.93 0 2 0 18 269.138 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-9-bromo-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine (9S)-9-bromo-2,3,6,7,8,9-hexahyd…

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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) 2.90 6.66 -5.91 0 2 0 18 269.138 0 ↓

Parameters Provided:

ring.id = 52292
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 = 52292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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