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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: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.33 8.26 -24.05 0 8 0 66 422.485 5 ↓
Mid Mid (pH 6-8) 2.33 10.46 -63.67 1 8 1 67 423.493 5 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.78 8.93 -24.08 0 8 0 66 436.512 5 ↓
Mid Mid (pH 6-8) 2.78 11.14 -63.6 1 8 1 67 437.52 5 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-on 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.49 8.32 -23.49 0 8 0 66 440.475 5 ↓
Mid Mid (pH 6-8) 2.49 10.53 -64.05 1 8 1 67 441.483 5 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-on 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.44 8.58 -24.28 0 8 0 66 440.475 5 ↓
Mid Mid (pH 6-8) 2.44 10.8 -67.06 1 8 1 67 441.483 5 ↓

Analogs

33709479
33709479

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(3-chlorophenyl)imidazolidin-2-on 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.98 8.78 -21.94 0 8 0 66 456.93 5 ↓
Mid Mid (pH 6-8) 2.98 10.98 -62.77 1 8 1 67 457.938 5 ↓

Analogs

33709479
33709479
33739053
33739053
33739055
33739055

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-chlorophenyl)imidazolidin-2-on 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 3.01 8.78 -23.05 0 8 0 66 456.93 5 ↓
Mid Mid (pH 6-8) 3.01 10.98 -63.46 1 8 1 67 457.938 5 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(3,4-difluorophenyl)imidazolidin- 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.58 8.35 -21.68 0 8 0 66 458.465 5 ↓
Mid Mid (pH 6-8) 2.58 10.58 -66.87 1 8 1 67 459.473 5 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-o 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.38 7.55 -24.39 0 9 0 75 452.511 6 ↓
Mid Mid (pH 6-8) 2.38 9.76 -64.52 1 9 1 76 453.519 6 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(2-methoxyphenyl)imidazolidin-2-o 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.34 7.87 -25.23 0 9 0 75 452.511 6 ↓
Mid Mid (pH 6-8) 2.34 10.1 -67.58 1 9 1 76 453.519 6 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-ethoxyphenyl)imidazolidin-2-on 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.76 8.47 -24.23 0 9 0 75 466.538 7 ↓
Mid Mid (pH 6-8) 2.76 10.68 -64.37 1 9 1 76 467.546 7 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)imidazolidin 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 1.97 7.46 -26.2 0 10 0 84 482.537 7 ↓
Mid Mid (pH 6-8) 1.97 9.67 -66.96 1 10 1 85 483.545 7 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(2,5-dimethoxyphenyl)imidazolidin 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 2.37 7.19 -27.55 0 10 0 84 482.537 7 ↓
Mid Mid (pH 6-8) 2.37 9.4 -66.24 1 10 1 85 483.545 7 ↓

Analogs

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Popular Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-(4-isopropylphenyl)imidazolidin-2 1-[2-[4-(1,3-benzodioxol-5-ylmet…

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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) 3.84 10.17 -23.68 0 8 0 66 464.566 6 ↓
Mid Mid (pH 6-8) 3.84 12.38 -63.14 1 8 1 67 465.574 6 ↓

Parameters Provided:

ring.id = 558442
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 = 558442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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