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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9708608
9708608
39703755
39703755

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Popular Name: dimethyl-pentyl-BLAHdione dimethyl-pentyl-BLAHdione

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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) 2.63 0.14 -10.11 0 7 0 74 290.323 4 ↓
Mid Mid (pH 6-8) 2.63 1.04 -33.78 1 7 1 75 291.331 4 ↓

Analogs

48557040
48557040
9708607
9708607

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Popular Name: hexyl-dimethyl-BLAHdione hexyl-dimethyl-BLAHdione

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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) 3.13 0.26 -10.04 0 7 0 74 304.35 5 ↓
Mid Mid (pH 6-8) 3.13 1.16 -33.74 1 7 1 75 305.358 5 ↓

Analogs

6660795
6660795

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Popular Name: dimethyl-(o-tolylmethyl)BLAHdione dimethyl-(o-tolylmethyl)BLAHdione

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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) 2.68 0.78 -12.26 0 7 0 74 324.34 2 ↓
Mid Mid (pH 6-8) 2.68 1.69 -35.82 1 7 1 75 325.348 2 ↓

Analogs

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Popular Name: dimethyl-(m-tolylmethyl)BLAHdione dimethyl-(m-tolylmethyl)BLAHdione

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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) 2.70 0.3 -10.78 0 7 0 74 324.34 2 ↓
Mid Mid (pH 6-8) 2.70 1.21 -33.84 1 7 1 75 325.348 2 ↓

Analogs

6660795
6660795

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Popular Name: dimethyl-(p-tolylmethyl)BLAHdione dimethyl-(p-tolylmethyl)BLAHdione

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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) 2.73 0.3 -10.7 0 7 0 74 324.34 2 ↓
Mid Mid (pH 6-8) 2.73 1.21 -33.89 1 7 1 75 325.348 2 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl-dimethyl-BLAHdione (2,5-dimethylphenyl)methyl-dimet…

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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) 3.10 1.13 -12.49 0 7 0 74 338.367 2 ↓
Mid Mid (pH 6-8) 3.10 2.01 -35.89 1 7 1 75 339.375 2 ↓

Analogs

9708616
9708616

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Popular Name: (2-chlorophenyl)methyl-dimethyl-BLAHdione (2-chlorophenyl)methyl-dimethyl-…

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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) 2.91 -0.19 -10.73 0 7 0 74 344.758 2 ↓
Mid Mid (pH 6-8) 2.91 0.72 -33.45 1 7 1 75 345.766 2 ↓

Analogs

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Popular Name: (3-chlorophenyl)methyl-dimethyl-BLAHdione (3-chlorophenyl)methyl-dimethyl-…

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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 -0.17 -10.37 0 7 0 74 344.758 2 ↓
Mid Mid (pH 6-8) 2.93 0.74 -34.46 1 7 1 75 345.766 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)methyl-dimethyl-BLAHdione (4-chlorophenyl)methyl-dimethyl-…

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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) 2.96 -0.17 -9.83 0 7 0 74 344.758 2 ↓
Mid Mid (pH 6-8) 2.96 0.74 -34.39 1 7 1 75 345.766 2 ↓

Analogs

8706206
8706206
9708613
9708613

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Popular Name: (2,6-dichlorophenyl)methyl-dimethyl-BLAHdione (2,6-dichlorophenyl)methyl-dimet…

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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) 3.54 -0.25 -10.65 0 7 0 74 379.203 2 ↓
Mid Mid (pH 6-8) 3.54 0.66 -32.67 1 7 1 75 380.211 2 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)methyl-dimethyl-BLAHdione (2-chloro-6-fluoro-phenyl)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) 3.03 0.47 -12.16 0 7 0 74 362.748 2 ↓
Mid Mid (pH 6-8) 3.03 1.37 -34.09 1 7 1 75 363.756 2 ↓

Analogs

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Popular Name: dimethyl-(1-naphthylmethyl)BLAHdione dimethyl-(1-naphthylmethyl)BLAHd…

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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 0.61 -13.37 0 7 0 74 360.373 2 ↓
Mid Mid (pH 6-8) 3.44 1.52 -37.42 1 7 1 75 361.381 2 ↓

Analogs

6660652
6660652

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Popular Name: 2-ethoxyethyl-dimethyl-BLAHdione 2-ethoxyethyl-dimethyl-BLAHdione

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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) 1.05 -0.51 -12.09 0 8 0 83 292.295 4 ↓
Mid Mid (pH 6-8) 1.05 0.39 -34.42 1 8 1 84 293.303 4 ↓

Analogs

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Popular Name: ethyl 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) 0.92 1.02 -14.44 0 9 0 100 306.278 4 ↓
Mid Mid (pH 6-8) 0.92 1.92 -37.38 1 9 1 102 307.286 4 ↓

Analogs

6660480
6660480

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Popular Name: ethyl 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) 0.89 0.65 -12.12 0 9 0 100 320.305 5 ↓
Mid Mid (pH 6-8) 0.89 1.55 -37.74 1 9 1 102 321.313 5 ↓

Analogs

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Popular Name: ethyl-trimethyl-BLAHdione ethyl-trimethyl-BLAHdione

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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) 1.28 -0.13 -10.69 0 7 0 74 262.269 1 ↓
Mid Mid (pH 6-8) 1.28 0.75 -32.73 1 7 1 75 263.277 1 ↓

Analogs

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Popular Name: trimethyl-propyl-BLAHdione trimethyl-propyl-BLAHdione

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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) 1.79 -0.09 -10.49 0 7 0 74 276.296 2 ↓
Mid Mid (pH 6-8) 1.79 0.82 -32.78 1 7 1 75 277.304 2 ↓

Analogs

9708627
9708627

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Popular Name: butyl-trimethyl-BLAHdione butyl-trimethyl-BLAHdione

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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 0.06 -10.44 0 7 0 74 290.323 3 ↓
Mid Mid (pH 6-8) 2.34 0.94 -32.64 1 7 1 75 291.331 3 ↓

Analogs

9708626
9708626

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Popular Name: trimethyl-pentyl-BLAHdione trimethyl-pentyl-BLAHdione

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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) 2.85 0.18 -10.4 0 7 0 74 304.35 4 ↓
Mid Mid (pH 6-8) 2.85 1.06 -32.59 1 7 1 75 305.358 4 ↓

Analogs

9708625
9708625

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Popular Name: hexyl-trimethyl-BLAHdione hexyl-trimethyl-BLAHdione

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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) 3.35 0.3 -10.35 0 7 0 74 318.377 5 ↓
Mid Mid (pH 6-8) 3.35 1.18 -32.61 1 7 1 75 319.385 5 ↓

Analogs

9708624
9708624

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Popular Name: isopentyl-trimethyl-BLAHdione isopentyl-trimethyl-BLAHdione

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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) 2.56 0.37 -10.29 0 7 0 74 304.35 3 ↓
Mid Mid (pH 6-8) 2.56 1.25 -32.52 1 7 1 75 305.358 3 ↓

Analogs

8765289
8765289

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Popular Name: allyl-trimethyl-BLAHdione allyl-trimethyl-BLAHdione

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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) 1.55 0.29 -10.59 0 7 0 74 274.28 2 ↓
Mid Mid (pH 6-8) 1.55 1.2 -32.87 1 7 1 75 275.288 2 ↓

Analogs

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Popular Name: cinnamyl-trimethyl-BLAHdione cinnamyl-trimethyl-BLAHdione

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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) 3.26 0.45 -11.91 0 7 0 74 350.378 3 ↓
Mid Mid (pH 6-8) 3.26 1.33 -34.16 1 7 1 75 351.386 3 ↓

Analogs

6660510
6660510

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Popular Name: trimethyl-(o-tolylmethyl)BLAHdione trimethyl-(o-tolylmethyl)BLAHdione

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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) 2.90 0.84 -12.55 0 7 0 74 338.367 2 ↓
Mid Mid (pH 6-8) 2.90 1.71 -34.57 1 7 1 75 339.375 2 ↓

Analogs

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Popular Name: trimethyl-(m-tolylmethyl)BLAHdione trimethyl-(m-tolylmethyl)BLAHdione

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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 0.35 -11.05 0 7 0 74 338.367 2 ↓
Mid Mid (pH 6-8) 2.93 1.26 -32.96 1 7 1 75 339.375 2 ↓

Analogs

6660510
6660510

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Popular Name: trimethyl-(p-tolylmethyl)BLAHdione trimethyl-(p-tolylmethyl)BLAHdione

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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) 2.95 0.35 -10.93 0 7 0 74 338.367 2 ↓
Mid Mid (pH 6-8) 2.95 1.22 -32.63 1 7 1 75 339.375 2 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)methyl-trimethyl-BLAHdione (2,5-dimethylphenyl)methyl-trime…

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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) 3.33 1.15 -12.77 0 7 0 74 352.394 2 ↓
Mid Mid (pH 6-8) 3.33 2.06 -35.04 1 7 1 75 353.402 2 ↓

Analogs

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Popular Name: (4-bromophenyl)methyl-trimethyl-BLAHdione (4-bromophenyl)methyl-trimethyl-…

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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 -0.73 -9.98 0 7 0 74 403.236 2 ↓
Mid Mid (pH 6-8) 3.31 0.14 -33.15 1 7 1 75 404.244 2 ↓

Analogs

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Popular Name: trimethyl-(1-naphthylmethyl)BLAHdione trimethyl-(1-naphthylmethyl)BLAH…

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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) 3.66 0.66 -13.55 0 7 0 74 374.4 2 ↓
Mid Mid (pH 6-8) 3.66 1.54 -36.18 1 7 1 75 375.408 2 ↓

Analogs

6661069
6661069

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Popular Name: 2-ethoxyethyl-trimethyl-BLAHdione 2-ethoxyethyl-trimethyl-BLAHdione

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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) 1.27 -0.47 -12.2 0 8 0 84 306.322 4 ↓
Mid Mid (pH 6-8) 1.27 0.41 -33.1 1 8 1 84 307.33 4 ↓

Analogs

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Popular Name: 2,4-dimethyl-7-(3-nitrophenyl)purino[8,7-b]oxazole-1,3-quinone 2,4-dimethyl-7-(3-nitrophenyl)pu…

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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) 2.32 0.17 -15.81 0 10 0 120 341.283 2 ↓

Parameters Provided:

ring.id = 8191
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 = 8191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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