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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: (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-2-phenyl-propanoic (2R)-2-(2,3-dihydro-1,4-dioxine-…

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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) 0.81 5.92 -61.96 1 6 -1 88 276.268 4 ↓

Analogs

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Popular Name: (2S)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-2-phenyl-propanoic (2S)-2-(2,3-dihydro-1,4-dioxine-…

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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) 0.81 5.92 -62.02 1 6 -1 88 276.268 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) -0.08 3.09 -56.22 4 5 1 75 263.317 5 ↓

Analogs

37863525
37863525

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Popular Name: methyl methyl

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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) 1.11 4.93 -14.73 1 6 0 74 277.276 5 ↓

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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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) 0.49 1.93 -11.64 2 5 0 68 249.266 4 ↓

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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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) 0.49 1.93 -11.65 2 5 0 68 249.266 4 ↓

Analogs

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Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(3-methoxy-4-methyl-phenyl)me…

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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) 1.37 4.32 -12.17 1 5 0 57 263.293 4 ↓

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(4-methylsulfanylphenyl)methy…

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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) 1.37 5.3 -11.94 1 4 0 48 265.334 4 ↓

Analogs

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Popular Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(2-hydroxy-5-nitro-phenyl)met…

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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) 0.81 2.15 -16 2 8 0 114 280.236 4 ↓
Mid Mid (pH 6-8) 0.81 2.91 -37.16 1 8 -1 116 279.228 4 ↓

Analogs

7786033
7786033
7786036
7786036

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Popular Name: N-(1-methyl-1-phenyl-ethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide N-(1-methyl-1-phenyl-ethyl)-2,3-…

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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) 1.94 5.44 -10.63 1 4 0 48 247.294 3 ↓

Analogs

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Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(4-bromo-2-chloro-phenyl)meth…

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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) 2.35 5.34 -10.95 1 4 0 48 332.581 3 ↓

Analogs

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Popular Name: N-[(3-hydroxy-4-methoxy-phenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(3-hydroxy-4-methoxy-phenyl)m…

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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) 0.27 1.41 -14.23 2 6 0 77 265.265 4 ↓

Analogs

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Popular Name: N-[(3-carbamoylphenyl)methyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(3-carbamoylphenyl)methyl]-N-…

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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) -0.02 2.56 -19.11 2 6 0 82 276.292 4 ↓

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[(3-nitrophenyl)methyl]-2,3-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) 0.87 4.98 -16.25 1 7 0 93 264.237 4 ↓

Analogs

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Popular Name: N-methyl-N-[(4-nitrophenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-methyl-N-[(4-nitrophenyl)methy…

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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) 1.14 6.5 -11.77 0 7 0 85 278.264 4 ↓

Analogs

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Popular Name: 3-[(2,3-dihydro-1,4-dioxine-5-carbonylamino)methyl]benzoic 3-[(2,3-dihydro-1,4-dioxine-5-ca…

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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) 0.82 4.83 -55.76 1 6 -1 88 262.241 4 ↓

Parameters Provided:

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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 = 30120 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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