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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-methyl-benzamide 3-(1,4-dioxaspiro[4.5]decan-8-yl…

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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 3.78 -12.28 2 5 0 60 290.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide 3-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 2.06 2.26 -12.44 3 5 0 74 276.336 3 ↓

Analogs

37781757
37781757

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1,4-dioxaspiro[4.5]decan-8-ylamino)phenoxy]acetonitrile 2-[4-(1,4-dioxaspiro[4.5]decan-8…

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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) 3.11 5.54 -10.1 1 5 0 64 288.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzenesulfonamide 3-(1,4-dioxaspiro[4.5]decan-8-yl…

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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 0.4 -13.92 3 6 0 91 312.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluoro-benzonitrile 2-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 3.09 5.99 -9.2 1 4 0 54 276.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-(1,4-dioxaspiro[4.5]decan-8-yl)-N1,N1-dimethyl-benzene-1,4-diamine N4-(1,4-dioxaspiro[4.5]decan-8-y…

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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) 3.37 5.96 -4.9 1 4 0 34 276.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-nitro-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(4-fluoro-2-nitro-phenyl)-1,4-…

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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) 3.32 6.58 -8.4 1 6 0 76 296.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-nitro-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(5-chloro-2-nitro-phenyl)-1,4-…

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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) 3.83 7.04 -6.29 1 6 0 76 312.753 3 ↓

Analogs

37060125
37060125
37061048
37061048

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-nitro-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(2-chloro-4-nitro-phenyl)-1,4-…

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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) 3.83 6.85 -7.76 1 6 0 76 312.753 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-nitro-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(4-chloro-2-nitro-phenyl)-1,4-…

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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) 3.83 7.05 -7.9 1 6 0 76 312.753 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzonitrile 2-chloro-5-(1,4-dioxaspiro[4.5]d…

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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) 3.63 6.35 -7.54 1 4 0 54 292.766 2 ↓

Analogs

19964664
19964664
19961401
19961401
19951490
19951490

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-propylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(2-propylphenyl)-1,4-dioxaspir…

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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) 4.53 7.87 -3.72 1 3 0 30 275.392 4 ↓

Analogs

37780242
37780242

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(1,4-dioxaspiro[4.5]decan-8-ylamino)phenoxy]acetonitrile 2-[3-(1,4-dioxaspiro[4.5]decan-8…

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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) 3.09 5.56 -9.89 1 5 0 64 288.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-fluoro-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(4-chloro-3-fluoro-phenyl)-1,4…

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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) 4.04 6.12 -5.52 1 3 0 30 285.746 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1,4-dioxaspiro[4.5]decan-8-ylamino)phenyl]acetonitrile 2-[4-(1,4-dioxaspiro[4.5]decan-8…

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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) 3.23 6.73 -9.27 1 4 0 54 272.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzonitrile 3-bromo-4-(1,4-dioxaspiro[4.5]de…

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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) 3.76 6.65 -6.87 1 4 0 54 337.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1,4-dioxaspiro[4.5]decan-8-ylamino)phenyl]acetamide 2-[4-(1,4-dioxaspiro[4.5]decan-8…

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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) 2.18 3.04 -11.03 3 5 0 74 290.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylsulfonylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(2-methylsulfonylphenyl)-1,4-d…

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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) 2.53 3.54 -11.65 1 5 0 65 311.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-(1,4-dioxaspiro[4.5]decan-8-yl)-N1,N1-dimethyl-benzene-1,2-diamine N2-(1,4-dioxaspiro[4.5]decan-8-y…

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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) 3.32 6.84 -3.94 1 4 0 34 276.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-4-methyl-benzoic 3-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 3.56 6.89 -55.6 1 5 -1 71 290.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-fluoro-benzoic 5-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 2.93 6.13 -54.39 1 5 -1 71 294.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-4-fluoro-benzoic 3-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 3.27 6.21 -47.16 1 5 -1 71 294.302 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-5-fluoro-4-methyl-benzonitrile 3-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 3.49 6.76 -6.25 1 4 0 54 290.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-methyl-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(5-bromo-2-methyl-phenyl)-1,4-…

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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) 4.45 6.96 -4.38 1 3 0 30 326.234 2 ↓

Analogs

37777965
37777965

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxy-4-fluoro-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(2-ethoxy-4-fluoro-phenyl)-1,4…

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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) 3.79 5.96 -5.09 1 4 0 40 295.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-iodo-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(2-chloro-4-iodo-phenyl)-1,4-d…

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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) 4.96 7.23 -3.67 1 3 0 30 393.652 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic 4-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 3.18 6.1 -52.84 1 5 -1 71 276.312 3 ↓

Analogs

12608027
12608027

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic 2-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 3.31 6.33 -51.39 1 5 -1 71 276.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methoxy-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(3-fluoro-4-methoxy-phenyl)-1,…

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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) 3.42 4.9 -7.54 1 4 0 40 281.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.44 6.2 -8.11 1 5 0 57 291.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic 3-(1,4-dioxaspiro[4.5]decan-8-yl…

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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) 3.16 6.11 -52.3 1 5 -1 71 276.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.57 6.43 -7.3 1 5 0 57 291.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxy-3-methyl-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(4-methoxy-3-methyl-phenyl)-1,…

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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) 3.70 5.58 -5.45 1 4 0 40 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)phenyl]ethanol (1S)-1-[2-(1,4-dioxaspiro[4.5]de…

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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 3.89 -5.95 2 4 0 51 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)phenyl]ethanol (1R)-1-[2-(1,4-dioxaspiro[4.5]de…

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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 3.89 -5.99 2 4 0 51 277.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-methoxy-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(5-bromo-2-methoxy-phenyl)-1,4…

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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) 4.06 5.59 -4.76 1 4 0 40 342.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-methoxy-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(4-fluoro-2-methoxy-phenyl)-1,…

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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) 3.42 5.03 -5.36 1 4 0 40 281.327 3 ↓

Analogs

37060762
37060762
37060463
37060463

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-nitro-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(2-fluoro-4-nitro-phenyl)-1,4-…

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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) 3.32 6.36 -8.14 1 6 0 76 296.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methyl-4-nitro-phenyl)-1,4-dioxaspiro[4.5]decan-8-amine N-(3-methyl-4-nitro-phenyl)-1,4-…

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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) 3.60 6.89 -8.75 1 6 0 76 292.335 3 ↓

Parameters Provided:

ring.id = 24317
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 = 24317 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=24317&filter.purchasability=annotated

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