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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6R,7aR)-4,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[2,5-difluor (E)-N-[(3aS,4R,5R,6R,7aR)-4,6-di…

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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) 1.57 2.22 -15.94 3 7 0 97 431.407 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-6,7-dihydroxy-4-methoxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3 (E)-N-[(3aS,4R,5R,6S,7R,7aR)-6,7…

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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) 1.49 2.46 -15.99 3 8 0 106 461.433 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[2,5-d (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6…

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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) 0.96 0.06 -17.51 4 8 0 117 447.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[2,5-d (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6…

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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) 0.96 0.06 -15.22 4 8 0 117 447.406 6 ↓

Parameters Provided:

ring.id = 366208
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 = 366208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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