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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: N-[(2R,4aS,8aR)-decalin-2-yl]-1,3-benzodioxol-5-amine N-[(2R,4aS,8aR)-decalin-2-yl]-1,…

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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) 5.17 7.3 -4.73 1 3 0 30 273.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aS,8aR)-decalin-2-yl]-1,3-benzodioxol-5-amine N-[(2S,4aS,8aR)-decalin-2-yl]-1,…

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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) 5.17 7.29 -4.71 1 3 0 30 273.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aR,8aR)-decalin-2-yl]-1,3-benzodioxol-5-amine N-[(2R,4aR,8aR)-decalin-2-yl]-1,…

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Activity (Go SEA)

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) 5.17 7.66 -4.69 1 3 0 30 273.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,8aR)-decalin-2-yl]-1,3-benzodioxol-5-amine N-[(2S,4aR,8aR)-decalin-2-yl]-1,…

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Activity (Go SEA)

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) 5.17 7.95 -4.84 1 3 0 30 273.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aS,8aR)-decalin-2-yl]-6-chloro-1,3-benzodioxol-5-amine N-[(2R,4aS,8aR)-decalin-2-yl]-6-…

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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) 5.77 7.89 -3.46 1 3 0 30 307.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aS,8aR)-decalin-2-yl]-6-chloro-1,3-benzodioxol-5-amine N-[(2S,4aS,8aR)-decalin-2-yl]-6-…

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Activity (Go SEA)

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) 5.77 7.87 -3.46 1 3 0 30 307.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,4aR,8aR)-decalin-2-yl]-6-chloro-1,3-benzodioxol-5-amine N-[(2R,4aR,8aR)-decalin-2-yl]-6-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.77 8.24 -3.48 1 3 0 30 307.821 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S,4aR,8aR)-decalin-2-yl]-6-chloro-1,3-benzodioxol-5-amine N-[(2S,4aR,8aR)-decalin-2-yl]-6-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.77 8.53 -3.7 1 3 0 30 307.821 2 ↓

Parameters Provided:

ring.id = 548542
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 = 548542 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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