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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: 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) 1.39 8.01 -33.65 1 6 1 70 282.316 7 ↓
Hi High (pH 8-9.5) 1.39 6.16 -12.7 0 6 0 69 281.308 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) 1.39 7.99 -34.89 1 6 1 70 282.316 7 ↓
Hi High (pH 8-9.5) 1.39 6.13 -13.21 0 6 0 69 281.308 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) 2.07 8.64 -43.56 1 6 1 70 296.343 7 ↓
Hi High (pH 8-9.5) 2.07 6.78 -13.73 0 6 0 69 295.335 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) 2.07 8.77 -41.34 1 6 1 70 296.343 7 ↓
Hi High (pH 8-9.5) 2.07 6.92 -10.71 0 6 0 69 295.335 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) 1.61 8.72 -40.96 1 6 1 70 296.343 7 ↓
Hi High (pH 8-9.5) 1.61 6.87 -11.86 0 6 0 69 295.335 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) 1.61 8.45 -37.66 1 6 1 70 296.343 7 ↓
Hi High (pH 8-9.5) 1.61 6.21 -7.61 0 6 0 69 295.335 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) 1.70 8.07 -43.53 1 6 1 70 282.316 7 ↓
Hi High (pH 8-9.5) 1.70 6.2 -13.56 0 6 0 69 281.308 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) 1.70 8.19 -41.54 1 6 1 70 282.316 7 ↓
Hi High (pH 8-9.5) 1.70 6.34 -10.68 0 6 0 69 281.308 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-propan-1-amine N-[(2R)-2-(2-furyl)-2-pyrrolidin…

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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) 2.14 5.92 -38.81 2 3 1 33 237.367 6 ↓
Mid Mid (pH 6-8) 2.14 8.31 -117.35 3 3 2 34 238.375 6 ↓
Mid Mid (pH 6-8) 2.14 7.95 -28.54 2 3 1 30 237.367 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-propan-1-amine N-[(2S)-2-(2-furyl)-2-pyrrolidin…

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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) 2.14 5.44 -38.66 2 3 1 33 237.367 6 ↓
Mid Mid (pH 6-8) 2.14 7.88 -110.12 3 3 2 34 238.375 6 ↓
Mid Mid (pH 6-8) 2.14 6.54 -31.69 2 3 1 30 237.367 6 ↓

Analogs

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Popular Name: 2-ethyl-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]butan-1-amine 2-ethyl-N-[(2R)-2-(2-furyl)-2-py…

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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) 3.15 7.08 -39.94 2 3 1 33 265.421 8 ↓
Mid Mid (pH 6-8) 3.15 9.48 -120.68 3 3 2 34 266.429 8 ↓
Mid Mid (pH 6-8) 3.15 9.08 -28.83 2 3 1 30 265.421 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]butan-1-amine 2-ethyl-N-[(2S)-2-(2-furyl)-2-py…

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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) 3.15 6.61 -39.44 2 3 1 33 265.421 8 ↓
Mid Mid (pH 6-8) 3.15 9.05 -112.85 3 3 2 34 266.429 8 ↓
Mid Mid (pH 6-8) 3.15 9.2 -32.51 2 3 1 30 265.421 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-butan-1-amine N-[(2R)-2-(2-furyl)-2-pyrrolidin…

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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) 2.67 6.37 -39.74 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 2.67 8.59 -123.67 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 2.67 8.54 -28.55 2 3 1 30 251.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-butan-1-amine N-[(2S)-2-(2-furyl)-2-pyrrolidin…

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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) 2.67 6.03 -40.01 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 2.67 8.47 -111.8 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 2.67 7.13 -31.75 2 3 1 30 251.394 7 ↓

Analogs

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Popular Name: (2R)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-pentan-2-amine (2R)-N-[(2R)-2-(2-furyl)-2-pyrro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 7 -35.73 2 3 1 33 265.421 7 ↓
Mid Mid (pH 6-8) 3.35 9.05 -122.19 3 3 2 34 266.429 7 ↓
Mid Mid (pH 6-8) 3.35 8.89 -28.54 2 3 1 30 265.421 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-pentan-2-amine (2S)-N-[(2R)-2-(2-furyl)-2-pyrro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 7.03 -36.17 2 3 1 33 265.421 7 ↓
Mid Mid (pH 6-8) 3.35 9.53 -116.83 3 3 2 34 266.429 7 ↓
Mid Mid (pH 6-8) 3.35 9.22 -28.93 2 3 1 30 265.421 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-pentan-2-amine (2R)-N-[(2S)-2-(2-furyl)-2-pyrro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 6.55 -36.05 2 3 1 33 265.421 7 ↓
Mid Mid (pH 6-8) 3.35 9.64 -114.73 3 3 2 34 266.429 7 ↓
Mid Mid (pH 6-8) 3.35 8.09 -31.98 2 3 1 30 265.421 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-4-methyl-pentan-2-amine (2S)-N-[(2S)-2-(2-furyl)-2-pyrro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 6.87 -37.4 2 3 1 33 265.421 7 ↓
Mid Mid (pH 6-8) 3.35 9.39 -113.34 3 3 2 34 266.429 7 ↓
Mid Mid (pH 6-8) 3.35 7.85 -32.22 2 3 1 30 265.421 7 ↓

Analogs

45650636
45650636
45650638
45650638

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Popular Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]pentan-3-amine N-[(2R)-2-(2-furyl)-2-pyrrolidin…

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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) 3.11 6.36 -35.81 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 3.11 8.55 -117.98 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 3.11 8.63 -28.42 2 3 1 30 251.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]pentan-3-amine N-[(2S)-2-(2-furyl)-2-pyrrolidin…

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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) 3.11 6.08 -36.13 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 3.11 8.8 -111.33 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 3.11 6.82 -31.5 2 3 1 30 251.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-butan-2-amine (2R)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 2.82 6.14 -35.42 2 3 1 33 251.394 6 ↓
Mid Mid (pH 6-8) 2.82 8.64 -112.9 3 3 2 34 252.402 6 ↓
Mid Mid (pH 6-8) 2.82 8.14 -28.93 2 3 1 30 251.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-butan-2-amine (2S)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 2.82 6.27 -35.28 2 3 1 33 251.394 6 ↓
Mid Mid (pH 6-8) 2.82 8.5 -119.86 3 3 2 34 252.402 6 ↓
Mid Mid (pH 6-8) 2.82 8.51 -29.01 2 3 1 30 251.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-butan-2-amine (2R)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 2.82 5.65 -35.32 2 3 1 33 251.394 6 ↓
Mid Mid (pH 6-8) 2.82 8.32 -107.25 3 3 2 34 252.402 6 ↓
Mid Mid (pH 6-8) 2.82 7.31 -31.78 2 3 1 30 251.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-butan-2-amine (2S)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 2.82 5.78 -35.35 2 3 1 33 251.394 6 ↓
Mid Mid (pH 6-8) 2.82 8.63 -112.91 3 3 2 34 252.402 6 ↓
Mid Mid (pH 6-8) 2.82 7.15 -31.8 2 3 1 30 251.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]propan-2-amine N-[(2R)-2-(2-furyl)-2-pyrrolidin…

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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) 2.04 5.05 -37.24 2 3 1 33 223.34 5 ↓
Mid Mid (pH 6-8) 2.04 7.44 -112.74 3 3 2 34 224.348 5 ↓
Mid Mid (pH 6-8) 2.04 7.12 -28.06 2 3 1 30 223.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]propan-2-amine N-[(2S)-2-(2-furyl)-2-pyrrolidin…

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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) 2.04 4.78 -36.65 2 3 1 33 223.34 5 ↓
Mid Mid (pH 6-8) 2.04 7.56 -110.97 3 3 2 34 224.348 5 ↓
Mid Mid (pH 6-8) 2.04 5.76 -31.58 2 3 1 30 223.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]propan-1-amine N-[(2R)-2-(2-furyl)-2-pyrrolidin…

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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) 1.90 5.07 -38.35 2 3 1 33 223.34 6 ↓
Mid Mid (pH 6-8) 1.90 7.3 -120.34 3 3 2 34 224.348 6 ↓
Mid Mid (pH 6-8) 1.90 7.26 -28.27 2 3 1 30 223.34 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]propan-1-amine N-[(2S)-2-(2-furyl)-2-pyrrolidin…

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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) 1.90 4.74 -38.75 2 3 1 33 223.34 6 ↓
Mid Mid (pH 6-8) 1.90 7.18 -108.89 3 3 2 34 224.348 6 ↓
Mid Mid (pH 6-8) 1.90 5.85 -31.54 2 3 1 30 223.34 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]butan-1-amine N-[(2R)-2-(2-furyl)-2-pyrrolidin…

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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) 2.46 5.85 -39.15 2 3 1 33 237.367 7 ↓
Mid Mid (pH 6-8) 2.46 8.07 -121.91 3 3 2 34 238.375 7 ↓
Mid Mid (pH 6-8) 2.46 8.04 -28.37 2 3 1 30 237.367 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]butan-1-amine N-[(2S)-2-(2-furyl)-2-pyrrolidin…

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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) 2.46 5.52 -39.45 2 3 1 33 237.367 7 ↓
Mid Mid (pH 6-8) 2.46 7.95 -110.36 3 3 2 34 238.375 7 ↓
Mid Mid (pH 6-8) 2.46 6.63 -31.62 2 3 1 30 237.367 7 ↓

Analogs

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Popular Name: (2R)-N-ethyl-2-(2-furyl)-2-pyrrolidin-1-yl-ethanamine (2R)-N-ethyl-2-(2-furyl)-2-pyrro…

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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) 1.40 4.31 -37.39 2 3 1 33 209.313 5 ↓
Mid Mid (pH 6-8) 1.40 6.54 -117.52 3 3 2 34 210.321 5 ↓
Mid Mid (pH 6-8) 1.40 6.5 -27.8 2 3 1 30 209.313 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-ethyl-2-(2-furyl)-2-pyrrolidin-1-yl-ethanamine (2S)-N-ethyl-2-(2-furyl)-2-pyrro…

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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) 1.40 3.98 -37.77 2 3 1 33 209.313 5 ↓
Mid Mid (pH 6-8) 1.40 6.42 -106.72 3 3 2 34 210.321 5 ↓
Mid Mid (pH 6-8) 1.40 5.09 -31.35 2 3 1 30 209.313 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]butan-2-amine (2R)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 2.58 5.79 -35.8 2 3 1 33 237.367 6 ↓
Mid Mid (pH 6-8) 2.58 8.16 -111.59 3 3 2 34 238.375 6 ↓
Mid Mid (pH 6-8) 2.58 7.89 -28.69 2 3 1 30 237.367 6 ↓

Analogs

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Popular Name: (2S)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]butan-2-amine (2S)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 2.58 5.71 -35.35 2 3 1 33 237.367 6 ↓
Mid Mid (pH 6-8) 2.58 7.95 -116.45 3 3 2 34 238.375 6 ↓
Mid Mid (pH 6-8) 2.58 7.94 -28.22 2 3 1 30 237.367 6 ↓

Analogs

45650636
45650636
45650638
45650638

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]butan-2-amine (2R)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 2.58 5.61 -35.85 2 3 1 33 237.367 6 ↓
Mid Mid (pH 6-8) 2.58 8.38 -110.72 3 3 2 34 238.375 6 ↓
Mid Mid (pH 6-8) 2.58 6.75 -31.67 2 3 1 30 237.367 6 ↓

Analogs

45650636
45650636
45650638
45650638

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]butan-2-amine (2S)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 2.58 5.74 -35.81 2 3 1 33 237.367 6 ↓
Mid Mid (pH 6-8) 2.58 8.15 -110.44 3 3 2 34 238.375 6 ↓
Mid Mid (pH 6-8) 2.58 6.58 -31.63 2 3 1 30 237.367 6 ↓

Analogs

45650636
45650636
45650638
45650638

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]pentan-2-amine (2R)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 3.14 6.56 -36.54 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 3.14 8.94 -113.83 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 3.14 8.66 -29.07 2 3 1 30 251.394 7 ↓

Analogs

45650636
45650636
45650638
45650638

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]pentan-2-amine (2S)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 3.14 6.47 -36.38 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 3.14 8.72 -118.87 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 3.14 8.72 -28.55 2 3 1 30 251.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]pentan-2-amine (2R)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 3.14 6.14 -36.52 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 3.14 8.59 -107.78 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 3.14 7.52 -31.7 2 3 1 30 251.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]pentan-2-amine (2S)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 3.14 6.48 -36.11 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 3.14 8.89 -112.05 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 3.14 7.36 -31.99 2 3 1 30 251.394 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methylsulfanyl-propan-1-amine N-[(2R)-2-(2-furyl)-2-pyrrolidin…

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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) 1.82 6.3 -42.65 2 3 1 33 269.434 8 ↓
Mid Mid (pH 6-8) 1.82 8.52 -126.23 3 3 2 34 270.442 8 ↓
Mid Mid (pH 6-8) 1.82 8.49 -30.3 2 3 1 30 269.434 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-3-methylsulfanyl-propan-1-amine N-[(2S)-2-(2-furyl)-2-pyrrolidin…

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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) 1.82 5.96 -42.93 2 3 1 33 269.434 8 ↓
Mid Mid (pH 6-8) 1.82 8.4 -115.27 3 3 2 34 270.442 8 ↓
Mid Mid (pH 6-8) 1.82 7.09 -34.21 2 3 1 30 269.434 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-pentan-1-amine (2R)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 3.20 7.16 -39.6 2 3 1 33 265.421 8 ↓
Hi High (pH 8-9.5) 3.20 9.33 -28.89 2 3 1 30 265.421 8 ↓
Mid Mid (pH 6-8) 3.20 9.59 -117.9 3 3 2 34 266.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-pentan-1-amine (2S)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 3.20 7.34 -39.89 2 3 1 33 265.421 8 ↓
Hi High (pH 8-9.5) 3.20 9.35 -28.8 2 3 1 30 265.421 8 ↓
Mid Mid (pH 6-8) 3.20 9.72 -119.63 3 3 2 34 266.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-pentan-1-amine (2R)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 3.20 7.04 -39.51 2 3 1 33 265.421 8 ↓
Hi High (pH 8-9.5) 3.20 8.09 -31.75 2 3 1 30 265.421 8 ↓
Mid Mid (pH 6-8) 3.20 9.82 -117.35 3 3 2 34 266.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-pentan-1-amine (2S)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 3.20 6.84 -39.33 2 3 1 33 265.421 8 ↓
Hi High (pH 8-9.5) 3.20 7.94 -31.76 2 3 1 30 265.421 8 ↓
Mid Mid (pH 6-8) 3.20 9.28 -111.71 3 3 2 34 266.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-butan-1-amine (2R)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 2.64 6.4 -38.81 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 2.64 8.63 -122.32 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 2.64 8.65 -28.96 2 3 1 30 251.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-butan-1-amine (2S)-N-[(2R)-2-(2-furyl)-2-pyrro…

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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) 2.64 6.57 -39.49 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 2.64 8.95 -118.69 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 2.64 8.6 -28.67 2 3 1 30 251.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-butan-1-amine (2R)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 2.64 6.27 -39.04 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 2.64 9.05 -116.51 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 2.64 7.34 -31.75 2 3 1 30 251.394 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-methyl-butan-1-amine (2S)-N-[(2S)-2-(2-furyl)-2-pyrro…

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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) 2.64 6.07 -38.97 2 3 1 33 251.394 7 ↓
Mid Mid (pH 6-8) 2.64 8.51 -111.12 3 3 2 34 252.402 7 ↓
Mid Mid (pH 6-8) 2.64 7.19 -31.7 2 3 1 30 251.394 7 ↓

Parameters Provided:

ring.id = 9492
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 = 9492 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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