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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: 1-cycloheptylbenzimidazol-5-amine 1-cycloheptylbenzimidazol-5-amine

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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 7.26 -7.82 2 3 0 44 229.327 1 ↓
Mid Mid (pH 6-8) 2.96 7.75 -28.62 3 3 1 45 230.335 1 ↓

Analogs

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Popular Name: 1-cycloheptyl-2-methyl-benzimidazol-5-amine 1-cycloheptyl-2-methyl-benzimida…

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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) 3.05 6.92 -8.68 2 3 0 44 243.354 1 ↓
Mid Mid (pH 6-8) 3.05 7.36 -24.71 3 3 1 45 244.362 1 ↓

Analogs

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Popular Name: 1-cycloheptyl-2-ethyl-benzimidazol-5-amine 1-cycloheptyl-2-ethyl-benzimidaz…

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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) 3.62 7.36 -8.55 2 3 0 44 257.381 2 ↓
Mid Mid (pH 6-8) 3.62 8.11 -23.81 3 3 1 45 258.389 2 ↓

Analogs

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Popular Name: 1-cycloheptyl-2-propyl-benzimidazol-5-amine 1-cycloheptyl-2-propyl-benzimida…

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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) 4.12 8.46 -8.24 2 3 0 44 271.408 3 ↓
Mid Mid (pH 6-8) 4.12 8.89 -23.8 3 3 1 45 272.416 3 ↓

Analogs

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Popular Name: 1-cycloheptyl-2-isopropyl-benzimidazol-5-amine 1-cycloheptyl-2-isopropyl-benzim…

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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) 4.10 8.13 -8.11 2 3 0 44 271.408 2 ↓
Mid Mid (pH 6-8) 4.10 8.72 -22.31 3 3 1 45 272.416 2 ↓

Analogs

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Popular Name: 1-cycloheptyl-2-(trifluoromethyl)benzimidazol-5-amine 1-cycloheptyl-2-(trifluoromethyl…

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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) 3.96 7.35 -7.2 2 3 0 44 297.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptyl]methanamine [(1R,2R)-2-(2-ethylbenzimidazol-…

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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) 3.24 6.49 -50.36 3 3 1 45 272.416 3 ↓
Mid Mid (pH 6-8) 3.24 7.84 -94.98 4 3 2 47 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptyl]methanamine [(1R,2S)-2-(2-ethylbenzimidazol-…

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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) 3.24 7.97 -49.87 3 3 1 45 272.416 3 ↓
Mid Mid (pH 6-8) 3.24 8.52 -94.61 4 3 2 47 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptyl]methanamine [(1S,2R)-2-(2-ethylbenzimidazol-…

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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) 3.24 8.12 -50.92 3 3 1 45 272.416 3 ↓
Mid Mid (pH 6-8) 3.24 8.37 -94.73 4 3 2 47 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptyl]methanamine [(1S,2S)-2-(2-ethylbenzimidazol-…

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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) 3.24 7.44 -50.31 3 3 1 45 272.416 3 ↓
Mid Mid (pH 6-8) 3.24 6.95 -92.26 4 3 2 47 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-(2-ethylbenzimidazol-1-yl)cycloheptanamine (1S,2R)-N-ethyl-2-(2-ethylbenzim…

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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) 4.21 9.42 -38.87 2 3 1 34 286.443 4 ↓
Mid Mid (pH 6-8) 4.21 10.3 -89.58 3 3 2 36 287.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-(2-ethylbenzimidazol-1-yl)cycloheptanamine (1S,2S)-N-ethyl-2-(2-ethylbenzim…

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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) 4.21 10.15 -36.82 2 3 1 34 286.443 4 ↓
Mid Mid (pH 6-8) 4.21 10.54 -89.03 3 3 2 36 287.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-(2-ethylbenzimidazol-1-yl)cycloheptanamine (1R,2R)-N-ethyl-2-(2-ethylbenzim…

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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) 4.21 10.11 -37.55 2 3 1 34 286.443 4 ↓
Mid Mid (pH 6-8) 4.21 10.57 -87.55 3 3 2 36 287.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-(2-ethylbenzimidazol-1-yl)cycloheptanamine (1R,2S)-N-ethyl-2-(2-ethylbenzim…

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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) 4.21 9.81 -38.33 2 3 1 34 286.443 4 ↓
Mid Mid (pH 6-8) 4.21 9.95 -85.3 3 3 2 36 287.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-cycloheptanamine (1S,2R)-2-(2-ethylbenzimidazol-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) 3.84 8.59 -40.37 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.84 9.45 -90.81 3 3 2 36 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-cycloheptanamine (1S,2S)-2-(2-ethylbenzimidazol-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) 3.84 9.31 -37.74 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.84 9.7 -89.98 3 3 2 36 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-cycloheptanamine (1R,2R)-2-(2-ethylbenzimidazol-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) 3.84 9.26 -38.45 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.84 9.72 -88.58 3 3 2 36 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-cycloheptanamine (1R,2S)-2-(2-ethylbenzimidazol-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) 3.84 8.97 -39.73 2 3 1 34 272.416 3 ↓
Mid Mid (pH 6-8) 3.84 9.14 -86.74 3 3 2 36 273.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptanamine (1S,2R)-2-(2-ethylbenzimidazol-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) 2.93 6.72 -45.12 3 3 1 45 258.389 2 ↓
Mid Mid (pH 6-8) 2.93 7.45 -93.92 4 3 2 47 259.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptanamine (1S,2S)-2-(2-ethylbenzimidazol-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) 2.93 7.52 -42.03 3 3 1 45 258.389 2 ↓
Mid Mid (pH 6-8) 2.93 7.9 -95.79 4 3 2 47 259.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptanamine (1R,2R)-2-(2-ethylbenzimidazol-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) 2.93 7.47 -42.9 3 3 1 45 258.389 2 ↓
Mid Mid (pH 6-8) 2.93 7.93 -94.15 4 3 2 47 259.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptanamine (1R,2S)-2-(2-ethylbenzimidazol-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) 2.93 7.29 -44.07 3 3 1 45 258.389 2 ↓
Mid Mid (pH 6-8) 2.93 7.27 -92.31 4 3 2 47 259.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptanecarbonitrile (1S,2R)-2-(2-ethylbenzimidazol-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) 4.22 9.69 -13.63 0 3 0 42 267.376 2 ↓
Mid Mid (pH 6-8) 4.22 10.11 -32.26 1 3 1 43 268.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptanecarbonitrile (1S,2S)-2-(2-ethylbenzimidazol-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) 4.22 10.18 -14.18 0 3 0 42 267.376 2 ↓
Mid Mid (pH 6-8) 4.22 10.61 -28.55 1 3 1 43 268.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptanecarbonitrile (1R,2R)-2-(2-ethylbenzimidazol-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) 4.22 10.18 -14.07 0 3 0 42 267.376 2 ↓
Mid Mid (pH 6-8) 4.22 10.61 -29.04 1 3 1 43 268.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptanecarbonitrile (1R,2S)-2-(2-ethylbenzimidazol-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) 4.22 9.64 -13.61 0 3 0 42 267.376 2 ↓
Mid Mid (pH 6-8) 4.22 10.11 -32.29 1 3 1 43 268.384 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptanol (1S,2R)-2-(2-ethylbenzimidazol-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 6.49 -9.86 1 3 0 38 258.365 2 ↓
Mid Mid (pH 6-8) 3.42 7.02 -24.69 2 3 1 39 259.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptanol (1S,2S)-2-(2-ethylbenzimidazol-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 6.87 -9.68 1 3 0 38 258.365 2 ↓
Mid Mid (pH 6-8) 3.42 7.3 -23.42 2 3 1 39 259.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptanol (1R,2R)-2-(2-ethylbenzimidazol-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 6.66 -9.43 1 3 0 38 258.365 2 ↓
Mid Mid (pH 6-8) 3.42 7.12 -23.68 2 3 1 39 259.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptanol (1R,2S)-2-(2-ethylbenzimidazol-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 7.23 -9.39 1 3 0 38 258.365 2 ↓
Mid Mid (pH 6-8) 3.42 7.66 -24.43 2 3 1 39 259.373 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptanecarboxylic (1S,2R)-2-(2-ethylbenzimidazol-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) 3.68 9.62 -50.59 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 3.68 10.15 -36.19 1 4 0 59 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptanecarboxylic (1S,2S)-2-(2-ethylbenzimidazol-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) 3.68 9.87 -50.55 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 3.68 10.95 -33.26 1 4 0 59 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-ethylbenzimidazol-1-yl)cycloheptanecarboxylic (1R,2R)-2-(2-ethylbenzimidazol-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) 3.68 10.3 -53.93 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 3.68 10.58 -33.76 1 4 0 59 286.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-ethylbenzimidazol-1-yl)cycloheptanecarboxylic (1R,2S)-2-(2-ethylbenzimidazol-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) 3.68 9.51 -50.57 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 3.68 9.51 -36.16 1 4 0 59 286.375 3 ↓

Parameters Provided:

ring.id = 28059
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 = 28059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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