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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: (R)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-methylimidazol-2-yl)methanol (R)-(6-chloro-3,4-dihydro-2H-1,5…

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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) 1.60 5.09 -37.14 2 5 1 58 295.746 2 ↓
Mid Mid (pH 6-8) 1.60 4.5 -11.21 1 5 0 57 294.738 2 ↓

Analogs

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Popular Name: (S)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-methylimidazol-2-yl)methanol (S)-(6-chloro-3,4-dihydro-2H-1,5…

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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) 1.60 5.11 -38.32 2 5 1 58 295.746 2 ↓
Mid Mid (pH 6-8) 1.60 4.49 -10.95 1 5 0 57 294.738 2 ↓

Analogs

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Popular Name: (R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylimidazol-2-yl)methanol (R)-3,4-dihydro-2H-1,5-benzodiox…

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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) 0.80 4.55 -37.5 2 5 1 58 261.301 2 ↓
Mid Mid (pH 6-8) 0.80 3.97 -10.57 1 5 0 57 260.293 2 ↓

Analogs

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Popular Name: (S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylimidazol-2-yl)methanol (S)-3,4-dihydro-2H-1,5-benzodiox…

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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) 0.80 4.56 -36.22 2 5 1 58 261.301 2 ↓
Mid Mid (pH 6-8) 0.80 3.94 -10.74 1 5 0 57 260.293 2 ↓

Analogs

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Popular Name: (R)-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-methylimidazol-2-yl)methanol (R)-(6-bromo-3,4-dihydro-2H-1,5-…

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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) 1.73 5.2 -36.88 2 5 1 58 340.197 2 ↓
Mid Mid (pH 6-8) 1.73 4.62 -11.11 1 5 0 57 339.189 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-methylimidazol-2-yl)methanol (S)-(6-bromo-3,4-dihydro-2H-1,5-…

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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) 1.73 5.22 -38.09 2 5 1 58 340.197 2 ↓
Mid Mid (pH 6-8) 1.73 4.6 -10.83 1 5 0 57 339.189 2 ↓

Analogs

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Popular Name: (R)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-ethylimidazol-2-yl)methanol (R)-(6-chloro-3,4-dihydro-2H-1,5…

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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) 1.98 5.95 -36.14 2 5 1 58 309.773 3 ↓
Mid Mid (pH 6-8) 1.98 5.41 -10.64 1 5 0 57 308.765 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-ethylimidazol-2-yl)methanol (S)-(6-chloro-3,4-dihydro-2H-1,5…

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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) 1.98 5.73 -37.23 2 5 1 58 309.773 3 ↓
Mid Mid (pH 6-8) 1.98 5.17 -10.24 1 5 0 57 308.765 3 ↓

Analogs

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Popular Name: (R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-propylimidazol-2-yl)methanol (R)-3,4-dihydro-2H-1,5-benzodiox…

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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) 1.68 6.16 -36.81 2 5 1 58 289.355 4 ↓
Mid Mid (pH 6-8) 1.68 5.62 -9.69 1 5 0 57 288.347 4 ↓

Analogs

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Popular Name: (S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-propylimidazol-2-yl)methanol (S)-3,4-dihydro-2H-1,5-benzodiox…

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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) 1.68 5.94 -35.49 2 5 1 58 289.355 4 ↓
Mid Mid (pH 6-8) 1.68 5.39 -9.76 1 5 0 57 288.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-ethylimidazol-2-yl)methanol (R)-3,4-dihydro-2H-1,5-benzodiox…

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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) 1.17 5.41 -36.69 2 5 1 58 275.328 3 ↓
Mid Mid (pH 6-8) 1.17 4.86 -10.08 1 5 0 57 274.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-ethylimidazol-2-yl)methanol (S)-3,4-dihydro-2H-1,5-benzodiox…

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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) 1.17 5.19 -35.41 2 5 1 58 275.328 3 ↓
Mid Mid (pH 6-8) 1.17 4.64 -10.13 1 5 0 57 274.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-ethylimidazol-2-yl)methanol (R)-(6-bromo-3,4-dihydro-2H-1,5-…

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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) 2.11 6.07 -35.92 2 5 1 58 354.224 3 ↓
Mid Mid (pH 6-8) 2.11 5.51 -10.58 1 5 0 57 353.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1-ethylimidazol-2-yl)methanol (S)-(6-bromo-3,4-dihydro-2H-1,5-…

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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) 2.11 5.84 -36.99 2 5 1 58 354.224 3 ↓
Mid Mid (pH 6-8) 2.11 5.3 -10.14 1 5 0 57 353.216 3 ↓

Parameters Provided:

ring.id = 345497
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 = 345497 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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