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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: 2-[(2E)-2-[(3aS,4R,5R,6aR)-4-[(E,3R)-3-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-hydroxy-prop-1-enyl 2-[(2E)-2-[(3aS,4R,5R,6aR)-4-[(E…

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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) 1.54 5.55 -56.15 2 7 -1 108 415.462 7 ↓

Analogs

26153659
26153659

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Popular Name: (5E)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxy-3-[(3S)-3-methyl-2H-1,4-benzodioxin-3-yl]prop- (5E)-5-[(3aS,4R,5R,6aR)-5-hydrox…

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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) 3.28 7.73 -54.34 2 6 -1 99 427.517 7 ↓
Lo Low (pH 4.5-6) 3.28 6.61 -16.98 3 6 0 96 428.525 7 ↓

Analogs

26153659
26153659

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxy-3-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]prop- (5E)-5-[(3aS,4R,5R,6aR)-5-hydrox…

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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) 3.28 8.02 -55.3 2 6 -1 99 427.517 7 ↓
Lo Low (pH 4.5-6) 3.28 6.9 -17.85 3 6 0 96 428.525 7 ↓

Analogs

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Popular Name: (5E)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxy-3-[(2R)-6-methoxy-2,3-dihydro-1,4-benzodioxin- (5E)-5-[(3aS,4R,5R,6aR)-5-hydrox…

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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) 2.87 6.75 -55.98 2 7 -1 108 443.516 8 ↓
Lo Low (pH 4.5-6) 2.87 5.63 -18.65 3 7 0 105 444.524 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxy-3-[(2S)-6-methoxy-2,3-dihydro-1,4-benzodioxin- (5E)-5-[(3aS,4R,5R,6aR)-5-hydrox…

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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) 2.87 6.49 -54.91 2 7 -1 108 443.516 8 ↓
Lo Low (pH 4.5-6) 2.87 5.37 -17.91 3 7 0 105 444.524 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2E)-2-[(3aS,4R,5R,6aR)-4-[(E,3R)-3-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-hydroxy-prop-1-enyl 2-[(2E)-2-[(3aS,4R,5R,6aR)-4-[(E…

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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) 1.54 6.87 -51.72 2 7 -1 108 415.462 7 ↓

Analogs

26153659
26153659

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3aS,4R,5R,6aR)-4-[(E,3R)-3-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-hydroxy-prop-1-enyl]-5 (5E)-5-[(3aS,4R,5R,6aR)-4-[(E,3R…

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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) 2.83 8.47 -49.98 2 6 -1 99 413.49 7 ↓
Lo Low (pH 4.5-6) 2.83 6.49 -12.07 3 6 0 96 414.498 7 ↓

Analogs

26153659
26153659

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-3-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]prop- (5E)-5-[(3aS,4R,5R,6aS)-5-hydrox…

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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) 3.28 8.93 -49.79 2 6 -1 99 427.517 7 ↓
Lo Low (pH 4.5-6) 3.28 6.95 -11.88 3 6 0 96 428.525 7 ↓

Analogs

26153659
26153659

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3R)-3-hydroxy-3-[(3S)-3-methyl-2H-1,4-benzodioxin-3-yl]prop- (5E)-5-[(3aS,4R,5R,6aS)-5-hydrox…

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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) 3.28 8.65 -50.59 2 6 -1 99 427.517 7 ↓
Lo Low (pH 4.5-6) 3.28 6.67 -12.56 3 6 0 96 428.525 7 ↓

Parameters Provided:

ring.id = 148594
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 = 148594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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