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Analogs

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Popular Name: (2R,3Z,5S)-3-(2-naphthylmethylene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3Z,5S)-3-(2-naphthylmethylen…

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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) 1.23 6.03 -51.95 0 5 -1 70 294.286 2 ↓

Analogs

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Popular Name: (2S,3Z,5S)-3-(2-naphthylmethylene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3Z,5S)-3-(2-naphthylmethylen…

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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) 1.23 5.75 -51.6 0 5 -1 70 294.286 2 ↓

Analogs

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Popular Name: (2R,3Z,5R)-3-(2-naphthylmethylene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3Z,5R)-3-(2-naphthylmethylen…

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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) 1.23 5.86 -51.37 0 5 -1 70 294.286 2 ↓

Analogs

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Popular Name: (2S,3Z,5R)-3-(2-naphthylmethylene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3Z,5R)-3-(2-naphthylmethylen…

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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) 1.23 6.13 -54.89 0 5 -1 70 294.286 2 ↓

Analogs

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Popular Name: (3E,5S)-3-[(4-nitrophenyl)methylene]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5S)-3-[(4-nitrophenyl)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) 2.22 2.53 -12.21 0 6 0 75 246.222 2 ↓

Analogs

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Popular Name: (3E,5R)-3-[(4-nitrophenyl)methylene]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5R)-3-[(4-nitrophenyl)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) 2.22 2.49 -12.56 0 6 0 75 246.222 2 ↓

Analogs

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Popular Name: (3E,5S)-3-[(2S)-2-hydroxypropylidene]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5S)-3-[(2S)-2-hydroxypropyli…

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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) 0.16 -3.51 -8.28 1 4 0 50 169.18 1 ↓

Analogs

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Popular Name: (3E,5S)-3-[(2R)-2-hydroxypropylidene]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5S)-3-[(2R)-2-hydroxypropyli…

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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) 0.16 -3.51 -8.18 1 4 0 50 169.18 1 ↓

Analogs

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Popular Name: (3E,5R)-3-[(2S)-2-hydroxypropylidene]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5R)-3-[(2S)-2-hydroxypropyli…

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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) 0.16 -3.55 -8 1 4 0 50 169.18 1 ↓

Analogs

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Popular Name: (3E,5R)-3-[(2R)-2-hydroxypropylidene]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5R)-3-[(2R)-2-hydroxypropyli…

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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) 0.16 -3.55 -8.37 1 4 0 50 169.18 1 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 3.46 7.08 -11.49 0 5 0 56 351.402 5 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 3.46 7.86 -10.26 0 5 0 56 351.402 5 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 3.46 6.63 -9.78 0 5 0 56 351.402 5 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 3.46 7.5 -10.15 0 5 0 56 351.402 5 ↓

Analogs

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Popular Name: (3E,5S)-3-(benzenesulfonylmethylene)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5S)-3-(benzenesulfonylmethyl…

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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) 0.59 -0.75 -12.72 0 5 0 64 265.29 2 ↓

Analogs

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Popular Name: (3E,5R)-3-(benzenesulfonylmethylene)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5R)-3-(benzenesulfonylmethyl…

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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) 0.59 -0.78 -13.45 0 5 0 64 265.29 2 ↓

Analogs

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Popular Name: (2R,3E,5S)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5S)-3-[(4-nitrophenyl)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) 0.00 3.34 -52.24 0 8 -1 115 289.223 3 ↓

Analogs

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Popular Name: (2S,3E,5S)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5S)-3-[(4-nitrophenyl)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) 0.00 3.56 -51.79 0 8 -1 115 289.223 3 ↓

Analogs

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Popular Name: (2R,3E,5R)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5R)-3-[(4-nitrophenyl)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) 0.00 3.55 -51.46 0 8 -1 115 289.223 3 ↓

Analogs

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Popular Name: (2S,3E,5R)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5R)-3-[(4-nitrophenyl)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) 0.00 3.73 -48.31 0 8 -1 115 289.223 3 ↓

Analogs

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Popular Name: benzyl benzyl

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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 3.75 -9.79 0 5 0 56 273.288 4 ↓

Analogs

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Popular Name: benzyl benzyl

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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 3.68 -10.43 0 5 0 56 273.288 4 ↓

Analogs

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Popular Name: (3E,5S)-3-acetonylidene-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5S)-3-acetonylidene-4-oxa-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) -0.02 -0.89 -10.39 0 4 0 47 167.164 1 ↓

Analogs

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Popular Name: (3E,5R)-3-acetonylidene-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5R)-3-acetonylidene-4-oxa-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) -0.02 -0.96 -10.78 0 4 0 47 167.164 1 ↓

Analogs

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Popular Name: (2R,3E,5S)-3-[(4-methoxyphenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5S)-3-[(4-methoxyphenyl)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) 0.10 1.91 -55.26 0 6 -1 79 274.252 3 ↓

Analogs

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Popular Name: (2S,3E,5S)-3-[(4-methoxyphenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5S)-3-[(4-methoxyphenyl)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) 0.10 2.14 -55 0 6 -1 79 274.252 3 ↓

Analogs

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Popular Name: (2R,3E,5R)-3-[(4-methoxyphenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5R)-3-[(4-methoxyphenyl)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) 0.10 2.13 -52.37 0 6 -1 79 274.252 3 ↓

Analogs

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Popular Name: (2S,3E,5R)-3-[(4-methoxyphenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5R)-3-[(4-methoxyphenyl)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) 0.10 2.3 -52.08 0 6 -1 79 274.252 3 ↓

Analogs

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Popular Name: (3E,5S)-7-oxo-3-(2-thienylmethylene)-4-oxa-1-azoniabicyclo[3.2.0]heptane-1-carboxylic (3E,5S)-7-oxo-3-(2-thienylmethyl…

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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) -2.20 6.39 -27.66 0 5 0 66 251.263 1 ↓

Analogs

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Popular Name: (3E,5R)-7-oxo-3-(2-thienylmethylene)-4-oxa-1-azoniabicyclo[3.2.0]heptane-1-carboxylic (3E,5R)-7-oxo-3-(2-thienylmethyl…

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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) -2.20 6.51 -18.99 0 5 0 66 251.263 1 ↓

Analogs

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Popular Name: (3Z,5R)-3-(2-hydroxyethylidene)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3Z,5R)-3-(2-hydroxyethylidene)-…

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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) -0.20 -4.33 -8.05 1 4 0 50 155.153 1 ↓

Analogs

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Popular Name: (3Z,5S)-3-(2-hydroxyethylidene)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3Z,5S)-3-(2-hydroxyethylidene)-…

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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) -0.20 -4.38 -8.09 1 4 0 50 155.153 1 ↓

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) 1.01 1.31 -8.87 0 5 0 56 231.635 3 ↓

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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) 1.01 1.26 -9.15 0 5 0 56 231.635 3 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)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) 4.09 5.76 -12.95 0 6 0 65 365.385 6 ↓

Analogs

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Popular Name: (4-methoxyphenyl)methyl (4-methoxyphenyl)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) 4.09 5.7 -12.98 0 6 0 65 365.385 6 ↓

Analogs

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Popular Name: (2R,3E,5S)-7-oxo-3-(3-thienylmethylene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5S)-7-oxo-3-(3-thienylmet…

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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) -0.55 1.74 -51.45 0 5 -1 70 250.255 2 ↓

Analogs

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Popular Name: (2S,3E,5S)-7-oxo-3-(3-thienylmethylene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5S)-7-oxo-3-(3-thienylmet…

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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) -0.55 1.83 -51.37 0 5 -1 70 250.255 2 ↓

Analogs

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Popular Name: (2R,3E,5R)-7-oxo-3-(3-thienylmethylene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5R)-7-oxo-3-(3-thienylmet…

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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) -0.55 1.78 -51.48 0 5 -1 70 250.255 2 ↓

Analogs

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Popular Name: (2S,3E,5R)-7-oxo-3-(3-thienylmethylene)-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5R)-7-oxo-3-(3-thienylmet…

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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) -0.55 2.08 -48.53 0 5 -1 70 250.255 2 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 1.00 1.63 -12.38 1 7 0 85 316.313 6 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 1.00 1.58 -12.73 1 7 0 85 316.313 6 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 1.89 3.01 -10.03 0 5 0 56 259.261 4 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 1.89 2.98 -10.54 0 5 0 56 259.261 4 ↓

Analogs

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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) 0.14 0.43 -13.44 0 7 0 82 241.199 4 ↓

Analogs

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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) 0.14 0.23 -13.34 0 7 0 82 241.199 4 ↓

Analogs

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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) 0.14 0.22 -13.29 0 7 0 82 241.199 4 ↓

Analogs

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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) 0.14 0.79 -14.16 0 7 0 82 241.199 4 ↓

Analogs

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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) 0.84 -0.23 -9.38 0 5 0 56 197.19 2 ↓

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) 0.84 -0.29 -9.95 0 5 0 56 197.19 2 ↓

Parameters Provided:

ring.id = 196718
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 = 196718 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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