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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 1.77 6.82 -33.82 1 6 1 70 282.364 7 ↓
Mid Mid (pH 6-8) 1.77 4.76 -11.28 0 6 0 68 281.356 7 ↓

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) 1.77 6.4 -32.68 1 6 1 70 282.364 7 ↓
Mid Mid (pH 6-8) 1.77 3.99 -8.6 0 6 0 68 281.356 7 ↓

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) 2.17 6.43 -33.56 1 6 1 70 282.364 6 ↓
Mid Mid (pH 6-8) 2.17 4.59 -11.1 0 6 0 68 281.356 6 ↓

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) 2.17 6.01 -32.49 1 6 1 70 282.364 6 ↓
Mid Mid (pH 6-8) 2.17 3.82 -8.62 0 6 0 68 281.356 6 ↓

Analogs

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Popular Name: (3R)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-isopropyl-1,2,4-oxadi…

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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 5.25 -45.32 1 6 0 83 253.302 4 ↓
Hi High (pH 8-9.5) 0.87 2.8 -46.3 0 6 -1 82 252.294 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-isopropyl-1,2,4-oxadi…

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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 5.26 -44.46 1 6 0 83 253.302 4 ↓
Hi High (pH 8-9.5) 0.87 2.8 -45.92 0 6 -1 82 252.294 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(5-propyl-1,2,4…

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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) 0.89 5.41 -45.66 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) 0.89 2.97 -46.05 0 6 -1 82 252.294 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(5-propyl-1,2,4…

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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) 0.89 5.42 -44.9 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) 0.89 2.96 -45.75 0 6 -1 82 252.294 5 ↓

Analogs

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Popular Name: (3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-ethyl-1,2,4-oxadiazol…

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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) 0.39 4.65 -45.9 1 6 0 83 239.275 4 ↓
Hi High (pH 8-9.5) 0.39 2.2 -46.63 0 6 -1 82 238.267 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-ethyl-1,2,4-oxadiazol…

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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) 0.39 4.65 -45.08 1 6 0 83 239.275 4 ↓
Hi High (pH 8-9.5) 0.39 2.19 -46.3 0 6 -1 82 238.267 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 1.54 5.78 -45.62 1 6 0 83 267.329 4 ↓
Hi High (pH 8-9.5) 1.54 3.27 -46.84 0 6 -1 82 266.321 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 1.54 5.78 -44.16 1 6 0 83 267.329 4 ↓
Hi High (pH 8-9.5) 1.54 3.25 -45.88 0 6 -1 82 266.321 4 ↓

Analogs

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Popular Name: (3R)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-isobutyl-1,2,4-oxadia…

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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) 1.13 5.95 -45.57 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) 1.13 3.5 -46.28 0 6 -1 82 266.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-isobutyl-1,2,4-oxadia…

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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) 1.13 5.95 -44.78 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) 1.13 3.49 -45.9 0 6 -1 82 266.321 5 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(5-methyl-1,2,4…

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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) -0.19 3.89 -46.54 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) -0.19 1.44 -47.33 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(5-methyl-1,2,4…

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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) -0.19 3.9 -45.73 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) -0.19 1.44 -46.96 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1,2,4-oxadiazol…

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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) -0.41 3.16 -49.76 1 6 0 83 211.221 3 ↓
Hi High (pH 8-9.5) -0.41 0.7 -52.82 0 6 -1 82 210.213 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1,2,4-oxadiazol…

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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) -0.41 3.15 -47.43 1 6 0 83 211.221 3 ↓
Hi High (pH 8-9.5) -0.41 0.62 -47.68 0 6 -1 82 210.213 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-isopropyl-1,2…

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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) 1.21 5.81 -44.01 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) 1.21 3.36 -46.81 0 6 -1 82 266.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-isopropyl-1,2…

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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) 1.21 5.73 -43.39 1 6 0 83 267.329 5 ↓
Hi High (pH 8-9.5) 1.21 3.2 -44.88 0 6 -1 82 266.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-propyl-1,2,4-…

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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) 1.22 6.02 -46.16 1 6 0 83 267.329 6 ↓
Hi High (pH 8-9.5) 1.22 3.62 -48.12 0 6 -1 82 266.321 6 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-propyl-1,2,4-…

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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) 1.22 5.9 -43.8 1 6 0 83 267.329 6 ↓
Hi High (pH 8-9.5) 1.22 3.44 -44.9 0 6 -1 82 266.321 6 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-ethyl-1,2,4-o…

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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) 0.72 5.25 -46.46 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) 0.72 2.85 -48.67 0 6 -1 82 252.294 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-ethyl-1,2,4-o…

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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) 0.72 5.13 -44.11 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) 0.72 2.67 -45.47 0 6 -1 82 252.294 5 ↓

Analogs

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Popular Name: (3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 1.87 6.34 -43.68 1 6 0 83 281.356 5 ↓
Hi High (pH 8-9.5) 1.87 3.89 -46.95 0 6 -1 82 280.348 5 ↓

Analogs

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Popular Name: (3R)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 1.87 6.25 -43.01 1 6 0 83 281.356 5 ↓
Hi High (pH 8-9.5) 1.87 3.73 -44.92 0 6 -1 82 280.348 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-isobutyl-1,2,…

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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) 1.47 6.51 -43.91 1 6 0 83 281.356 6 ↓
Hi High (pH 8-9.5) 1.47 4.27 -46.95 0 6 -1 82 280.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-isobutyl-1,2,…

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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) 1.47 6.43 -43.27 1 6 0 83 281.356 6 ↓
Hi High (pH 8-9.5) 1.47 4.12 -45.13 0 6 -1 82 280.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-methyl-1,2,4-…

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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) 0.15 4.45 -45.24 1 6 0 83 239.275 4 ↓
Hi High (pH 8-9.5) 0.15 2 -47.96 0 6 -1 82 238.267 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-methyl-1,2,4-…

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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) 0.15 4.37 -44.59 1 6 0 83 239.275 4 ↓
Hi High (pH 8-9.5) 0.15 1.84 -45.98 0 6 -1 82 238.267 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(1,2,4-oxadiazol-…

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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) -0.07 3.7 -46.74 1 6 0 83 225.248 4 ↓
Hi High (pH 8-9.5) -0.07 1.25 -48.47 0 6 -1 82 224.24 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(1,2,4-oxadiazol-…

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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) -0.07 3.61 -46.18 1 6 0 83 225.248 4 ↓
Hi High (pH 8-9.5) -0.07 1.09 -46.68 0 6 -1 82 224.24 4 ↓

Analogs

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Popular Name: (3S)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-isopropyl-1,2,4-oxadi…

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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) 1.76 6.55 -44.72 1 6 0 83 281.356 6 ↓
Hi High (pH 8-9.5) 1.76 4.02 -52.8 0 6 -1 82 280.348 6 ↓

Analogs

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Popular Name: (3R)-1-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-isopropyl-1,2,4-oxadi…

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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) 1.76 6.49 -43.35 1 6 0 83 281.356 6 ↓
Hi High (pH 8-9.5) 1.76 3.97 -45.35 0 6 -1 82 280.348 6 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-propyl-1-[(5-propyl-1,2,4…

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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) 1.78 6.79 -46.33 1 6 0 83 281.356 7 ↓
Hi High (pH 8-9.5) 1.78 4.39 -48.66 0 6 -1 82 280.348 7 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-propyl-1-[(5-propyl-1,2,4…

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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) 1.78 6.66 -44.53 1 6 0 83 281.356 7 ↓
Hi High (pH 8-9.5) 1.78 4.25 -48.68 0 6 -1 82 280.348 7 ↓

Analogs

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Popular Name: (3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-ethyl-1,2,4-oxadiazol…

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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 5.94 -45.24 1 6 0 83 267.329 6 ↓
Hi High (pH 8-9.5) 1.28 3.42 -53.26 0 6 -1 82 266.321 6 ↓

Analogs

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Popular Name: (3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-ethyl-1,2,4-oxadiazol…

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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 5.89 -43.74 1 6 0 83 267.329 6 ↓
Hi High (pH 8-9.5) 1.28 3.36 -45.75 0 6 -1 82 266.321 6 ↓

Analogs

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Popular Name: (3S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 2.43 7.07 -44.59 1 6 0 83 295.383 6 ↓
Hi High (pH 8-9.5) 2.43 4.55 -52.9 0 6 -1 82 294.375 6 ↓

Analogs

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Popular Name: (3R)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 2.43 7.02 -42.94 1 6 0 83 295.383 6 ↓
Hi High (pH 8-9.5) 2.43 4.49 -45.35 0 6 -1 82 294.375 6 ↓

Analogs

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Popular Name: (3S)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-isobutyl-1,2,4-oxadia…

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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) 2.03 7.24 -44.9 1 6 0 83 295.383 7 ↓
Hi High (pH 8-9.5) 2.03 4.71 -53.36 0 6 -1 82 294.375 7 ↓

Analogs

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Popular Name: (3R)-1-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-isobutyl-1,2,4-oxadia…

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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) 2.03 7.19 -43.21 1 6 0 83 295.383 7 ↓
Hi High (pH 8-9.5) 2.03 4.66 -45.53 0 6 -1 82 294.375 7 ↓

Analogs

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Popular Name: (3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-methyl-1,2,4-oxadiazo…

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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) 0.71 5.19 -45.8 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) 0.71 2.65 -53.72 0 6 -1 82 252.294 5 ↓

Analogs

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Popular Name: (3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-methyl-1,2,4-oxadiazo…

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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) 0.71 5.13 -44.56 1 6 0 83 253.302 5 ↓
Hi High (pH 8-9.5) 0.71 2.6 -46.36 0 6 -1 82 252.294 5 ↓

Analogs

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Popular Name: (3S)-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(1,2,4-oxadiazol-3-ylmeth…

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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) 0.49 4.44 -47.05 1 6 0 83 239.275 5 ↓
Hi High (pH 8-9.5) 0.49 1.91 -53.96 0 6 -1 82 238.267 5 ↓

Analogs

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Popular Name: (3R)-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(1,2,4-oxadiazol-3-ylmeth…

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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) 0.49 4.38 -46.22 1 6 0 83 239.275 5 ↓
Hi High (pH 8-9.5) 0.49 1.86 -47.09 0 6 -1 82 238.267 5 ↓

Analogs

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Popular Name: (2R)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(5-butyl-1,2,4-oxadiazol…

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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) 0.95 3.49 -36.66 2 6 1 72 267.353 6 ↓

Analogs

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Popular Name: (2S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(5-butyl-1,2,4-oxadiazol…

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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) 0.95 3.49 -38.45 2 6 1 72 267.353 6 ↓

Analogs

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Popular Name: (2R)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 1.04 3.07 -35.93 2 6 1 72 267.353 4 ↓

Analogs

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Popular Name: (2S)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(5-tert-butyl-1,2,4-oxad…

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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) 1.04 3.06 -37.88 2 6 1 72 267.353 4 ↓

Parameters Provided:

ring.id = 9463
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 = 9463 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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