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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-[[4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-yl]methyl]-5-[(3-fluorophenyl)methox 2-[[4-[(2S)-2,3-dihydro-1,4-benz…

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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) 1.95 9.9 -24.08 0 8 0 81 480.492 6 ↓
Mid Mid (pH 6-8) 1.95 12.22 -75.97 1 8 1 83 481.5 6 ↓

Analogs

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Popular Name: 2-[[4-[(2R)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-yl]methyl]-5-[(3-fluorophenyl)methox 2-[[4-[(2R)-2,3-dihydro-1,4-benz…

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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) 1.95 10.02 -24.46 0 8 0 81 480.492 6 ↓
Mid Mid (pH 6-8) 1.95 12.29 -75.39 1 8 1 83 481.5 6 ↓

Analogs

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Popular Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methy 5-[(2-chlorophenyl)methoxy]-2-[[…

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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 10.51 -23.87 0 8 0 81 496.947 6 ↓
Mid Mid (pH 6-8) 2.44 12.79 -73.67 1 8 1 83 497.955 6 ↓

Analogs

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Popular Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methy 5-[(2-chlorophenyl)methoxy]-2-[[…

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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 10.49 -21.26 0 8 0 81 496.947 6 ↓
Mid Mid (pH 6-8) 2.44 12.77 -70.87 1 8 1 83 497.955 6 ↓

Analogs

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Popular Name: 2-[[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methyl]-5-[(4-methylsulfanylpheny 2-[[4-[(3S)-2,3-dihydro-1,4-benz…

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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) 2.24 11.02 -27.23 0 8 0 81 508.596 7 ↓
Mid Mid (pH 6-8) 2.24 13.29 -78.58 1 8 1 83 509.604 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methyl]-5-[(4-methylsulfanylpheny 2-[[4-[(3R)-2,3-dihydro-1,4-benz…

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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) 2.24 10.99 -24.59 0 8 0 81 508.596 7 ↓
Mid Mid (pH 6-8) 2.24 13.25 -75.73 1 8 1 83 509.604 7 ↓

Analogs

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Popular Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]m 5-[(4-tert-butylphenyl)methoxy]-…

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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) 3.51 12.31 -25.79 0 8 0 81 518.61 7 ↓
Mid Mid (pH 6-8) 3.51 14.58 -76.3 1 8 1 83 519.618 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]m 5-[(4-tert-butylphenyl)methoxy]-…

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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) 3.51 12.28 -23.06 0 8 0 81 518.61 7 ↓
Mid Mid (pH 6-8) 3.51 14.54 -73.43 1 8 1 83 519.618 7 ↓

Parameters Provided:

ring.id = 96653
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 = 96653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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