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Analogs

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Popular Name: (3R)-1-[(3S)-1-(1-ethylpropyl)-2,5-dioxo-pyrrolidin-3-yl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(3S)-1-(1-ethylpropyl)-2…

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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 8.62 -55.85 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.87 6.14 -49.69 0 6 -1 81 295.359 5 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-2,5-dioxopyrrolidin…

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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) -1.12 -0.02 -48.37 1 6 -1 90 225.224 2 ↓
Hi High (pH 8-9.5) -1.12 2.64 -53.47 2 6 0 91 226.232 2 ↓
Mid Mid (pH 6-8) -0.93 0.1 -61.17 1 6 -1 97 225.224 2 ↓

Analogs

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Popular Name: (3R)-1-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-2,5-dioxopyrrolidin…

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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) -1.12 -0.12 -54.15 1 6 -1 90 225.224 2 ↓
Hi High (pH 8-9.5) -1.12 2.64 -51.63 2 6 0 91 226.232 2 ↓
Mid Mid (pH 6-8) -0.93 0.1 -57.61 1 6 -1 97 225.224 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(3S)-1-[(1R)-1-methylpropyl]-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(3S)-1-[(1R)-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) 0.34 7.5 -51.28 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.34 4.88 -47.38 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(3S)-1-[(1S)-1-methylpropyl]-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(3S)-1-[(1S)-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) 0.34 7.53 -56.24 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.34 5.06 -49.83 0 6 -1 81 281.332 4 ↓

Analogs

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Popular Name: (3R)-1-[(3S)-2,5-dioxo-1-propyl-pyrrolidin-3-yl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(3S)-2,5-dioxo-1-propyl-…

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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 6.67 -57.36 1 6 0 82 268.313 4 ↓
Hi High (pH 8-9.5) 0.00 4.19 -49.83 0 6 -1 81 267.305 4 ↓

Analogs

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Popular Name: (3R)-1-[(3S)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(3S)-1-isopropyl-2,5-dio…

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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 6.46 -56.68 1 6 0 82 268.313 3 ↓
Hi High (pH 8-9.5) -0.20 3.99 -49.79 0 6 -1 81 267.305 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(3R)-1-methyl-2…

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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 4.93 -52.51 1 6 0 82 240.259 2 ↓
Hi High (pH 8-9.5) -0.87 2.27 -48 0 6 -1 81 239.251 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(3R)-1-methyl-2…

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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 4.93 -50.49 1 6 0 82 240.259 2 ↓
Hi High (pH 8-9.5) -0.87 2.18 -54.15 0 6 -1 81 239.251 2 ↓

Analogs

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Popular Name: (3R)-1-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(3S)-1-ethyl-2,5-dioxo-p…

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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) -0.50 5.91 -57.44 1 6 0 82 254.286 3 ↓
Hi High (pH 8-9.5) -0.50 3.44 -49.95 0 6 -1 81 253.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-2,5-dioxopyrrolidin…

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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) -0.78 0.41 -46.24 1 6 -1 90 239.251 3 ↓
Hi High (pH 8-9.5) -0.78 3.16 -50.53 2 6 0 91 240.259 3 ↓
Mid Mid (pH 6-8) -0.60 0.63 -62.05 1 6 -1 97 239.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-2,5-dioxopyrrolidin…

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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) -0.78 0.35 -53.16 1 6 -1 90 239.251 3 ↓
Hi High (pH 8-9.5) -0.78 3.11 -50.48 2 6 0 91 240.259 3 ↓
Mid Mid (pH 6-8) -0.60 0.58 -56.42 1 6 -1 97 239.251 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(3S)-1-[(1R)-1-methylpropyl]-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(3S)-1-[(1R)-1-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) 0.67 8.05 -51.22 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.67 5.37 -47.34 0 6 -1 81 295.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(3S)-1-[(1S)-1-methylpropyl]-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(3S)-1-[(1S)-1-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) 0.67 8.13 -53.76 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.67 5.71 -49.6 0 6 -1 81 295.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3S)-2,5-dioxo-1-propyl-pyrrolidin-3-yl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(3S)-2,5-dioxo-1-propyl-…

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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) 0.34 7.19 -52.16 1 6 0 82 282.34 5 ↓
Hi High (pH 8-9.5) 0.34 4.51 -47.47 0 6 -1 81 281.332 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(3R)-1-isopropyl…

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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) 0.13 7.03 -51.43 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.13 4.59 -47.25 0 6 -1 81 281.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(3R)-1-isopropyl…

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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) 0.13 6.96 -48.28 1 6 0 82 282.34 4 ↓
Hi High (pH 8-9.5) 0.13 4.2 -52.97 0 6 -1 81 281.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(3R)-1-methyl-2,…

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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) -0.54 5.45 -49.66 1 6 0 82 254.286 3 ↓
Hi High (pH 8-9.5) -0.54 2.71 -46.02 0 6 -1 81 253.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(3R)-1-methyl-2,…

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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) -0.54 5.4 -49.34 1 6 0 82 254.286 3 ↓
Hi High (pH 8-9.5) -0.54 2.65 -53.16 0 6 -1 81 253.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(3R)-1-ethyl-2,5…

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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 6.46 -52.15 1 6 0 82 268.313 4 ↓
Hi High (pH 8-9.5) -0.16 4.04 -47.36 0 6 -1 81 267.305 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(3R)-1-ethyl-2,5…

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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 6.39 -48.98 1 6 0 82 268.313 4 ↓
Hi High (pH 8-9.5) -0.16 3.64 -53.05 0 6 -1 81 267.305 4 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-2,5-dioxopyrrolidin…

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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) -0.22 1.15 -46.51 1 6 -1 90 253.278 4 ↓
Hi High (pH 8-9.5) -0.22 3.93 -50.45 2 6 0 91 254.286 4 ↓
Mid Mid (pH 6-8) -0.04 1.39 -61.98 1 6 -1 97 253.278 4 ↓

Analogs

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Popular Name: (3R)-1-[(3R)-2,5-dioxopyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-2,5-dioxopyrrolidin…

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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) -0.22 1.12 -53.67 1 6 -1 90 253.278 4 ↓
Hi High (pH 8-9.5) -0.22 3.88 -50.54 2 6 0 91 254.286 4 ↓
Mid Mid (pH 6-8) -0.04 1.34 -56.34 1 6 -1 97 253.278 4 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-2,5-dioxo-1-propyl-pyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-2,5-dioxo-1-propyl-…

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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) 0.90 7.97 -49.03 1 6 0 82 296.367 6 ↓
Hi High (pH 8-9.5) 0.90 5.21 -46.08 0 6 -1 81 295.359 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3R)-2,5-dioxo-1-propyl-pyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-2,5-dioxo-1-propyl-…

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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) 0.90 7.91 -48.92 1 6 0 82 296.367 6 ↓
Hi High (pH 8-9.5) 0.90 5.16 -53.5 0 6 -1 81 295.359 6 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-1-isopropyl-2,5-dio…

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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) 0.69 7.78 -48.54 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.69 5.01 -46.09 0 6 -1 81 295.359 5 ↓

Analogs

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Popular Name: (3R)-1-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-1-isopropyl-2,5-dio…

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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) 0.69 7.73 -48.24 1 6 0 82 296.367 5 ↓
Hi High (pH 8-9.5) 0.69 4.97 -53.48 0 6 -1 81 295.359 5 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-1-methyl-2,5-dioxo-…

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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 6.22 -49.65 1 6 0 82 268.313 4 ↓
Hi High (pH 8-9.5) 0.02 3.47 -46.36 0 6 -1 81 267.305 4 ↓

Analogs

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Popular Name: (3R)-1-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-1-methyl-2,5-dioxo-…

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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 6.17 -49.38 1 6 0 82 268.313 4 ↓
Hi High (pH 8-9.5) 0.02 3.42 -53.62 0 6 -1 81 267.305 4 ↓

Analogs

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Popular Name: (3S)-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-1-ethyl-2,5-dioxo-p…

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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) 0.40 7.21 -49.08 1 6 0 82 282.34 5 ↓
Hi High (pH 8-9.5) 0.40 4.45 -46.27 0 6 -1 81 281.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-1-ethyl-2,5-dioxo-p…

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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) 0.40 7.15 -48.99 1 6 0 82 282.34 5 ↓
Hi High (pH 8-9.5) 0.40 4.4 -53.61 0 6 -1 81 281.332 5 ↓

Parameters Provided:

ring.id = 311321
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 = 311321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=311321&filter.purchasability=annotated

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