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Analogs

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Popular Name: 3-ethyl-1-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 3-ethyl-1-methyl-5-[(2S)-pyrroli…

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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) 0.37 3.94 -41.34 2 4 1 47 181.263 2 ↓
Hi High (pH 8-9.5) 0.37 2.68 -9.53 1 4 0 43 180.255 2 ↓

Analogs

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Popular Name: 3-ethyl-1-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 3-ethyl-1-methyl-5-[(2R)-pyrroli…

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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) 0.37 4.12 -40.55 2 4 1 47 181.263 2 ↓
Hi High (pH 8-9.5) 0.37 2.77 -6.93 1 4 0 43 180.255 2 ↓

Analogs

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Popular Name: 3-ethyl-5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-ethyl-5-[(2S,4S)-4-methoxypyrr…

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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 2.94 -44.92 2 5 1 57 211.289 3 ↓
Mid Mid (pH 6-8) 0.07 1.65 -11.85 1 5 0 52 210.281 3 ↓

Analogs

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Popular Name: 3-ethyl-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-ethyl-5-[(2R,4S)-4-methoxypyrr…

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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 3.06 -41.08 2 5 1 57 211.289 3 ↓
Mid Mid (pH 6-8) 0.07 1.65 -7.05 1 5 0 52 210.281 3 ↓

Analogs

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Popular Name: 3-ethyl-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-ethyl-5-[(2S,4R)-4-methoxypyrr…

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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 3.01 -42.52 2 5 1 57 211.289 3 ↓
Mid Mid (pH 6-8) 0.07 1.57 -8.86 1 5 0 52 210.281 3 ↓

Analogs

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Popular Name: 3-ethyl-5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-ethyl-5-[(2R,4R)-4-methoxypyrr…

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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 3.13 -43.51 2 5 1 57 211.289 3 ↓
Mid Mid (pH 6-8) 0.07 1.76 -8.45 1 5 0 52 210.281 3 ↓

Analogs

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Popular Name: 1-methyl-3-propyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 1-methyl-3-propyl-5-[(2S)-pyrrol…

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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 4.71 -41.3 2 4 1 47 195.29 3 ↓
Hi High (pH 8-9.5) 0.87 3.45 -9.32 1 4 0 43 194.282 3 ↓

Analogs

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Popular Name: 1-methyl-3-propyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 1-methyl-3-propyl-5-[(2R)-pyrrol…

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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 4.89 -40.46 2 4 1 47 195.29 3 ↓
Hi High (pH 8-9.5) 0.87 3.54 -6.74 1 4 0 43 194.282 3 ↓

Analogs

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Popular Name: 5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-3-propyl-1,2,4-triazole 5-[(2S,4S)-4-methoxypyrrolidin-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) 0.57 3.71 -44.83 2 5 1 57 225.316 4 ↓
Mid Mid (pH 6-8) 0.57 2.42 -11.65 1 5 0 52 224.308 4 ↓

Analogs

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Popular Name: 5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-3-propyl-1,2,4-triazole 5-[(2R,4S)-4-methoxypyrrolidin-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) 0.57 3.83 -41.08 2 5 1 57 225.316 4 ↓
Mid Mid (pH 6-8) 0.57 2.42 -6.8 1 5 0 52 224.308 4 ↓

Analogs

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Popular Name: 5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-3-propyl-1,2,4-triazole 5-[(2S,4R)-4-methoxypyrrolidin-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) 0.57 3.78 -42.42 2 5 1 57 225.316 4 ↓
Mid Mid (pH 6-8) 0.57 2.34 -8.7 1 5 0 52 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-3-propyl-1,2,4-triazole 5-[(2R,4R)-4-methoxypyrrolidin-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) 0.57 3.9 -43.43 2 5 1 57 225.316 4 ↓
Mid Mid (pH 6-8) 0.57 2.53 -8.27 1 5 0 52 224.308 4 ↓

Analogs

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Popular Name: 3-isopropyl-1-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 3-isopropyl-1-methyl-5-[(2S)-pyr…

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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) 0.85 4.39 -41.13 2 4 1 47 195.29 2 ↓
Hi High (pH 8-9.5) 0.85 3.13 -9.54 1 4 0 43 194.282 2 ↓

Analogs

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Popular Name: 3-isopropyl-1-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 3-isopropyl-1-methyl-5-[(2R)-pyr…

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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) 0.85 4.57 -40.31 2 4 1 47 195.29 2 ↓
Hi High (pH 8-9.5) 0.85 3.22 -6.89 1 4 0 43 194.282 2 ↓

Analogs

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Popular Name: 3-isopropyl-5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isopropyl-5-[(2S,4S)-4-methoxy…

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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) 0.56 3.39 -44.61 2 5 1 57 225.316 3 ↓
Mid Mid (pH 6-8) 0.56 2.1 -11.82 1 5 0 52 224.308 3 ↓

Analogs

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Popular Name: 3-isopropyl-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isopropyl-5-[(2R,4S)-4-methoxy…

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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) 0.56 3.51 -40.94 2 5 1 57 225.316 3 ↓
Mid Mid (pH 6-8) 0.56 2.1 -6.94 1 5 0 52 224.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isopropyl-5-[(2S,4R)-4-methoxy…

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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) 0.56 3.46 -42.21 2 5 1 57 225.316 3 ↓
Mid Mid (pH 6-8) 0.56 2.02 -8.83 1 5 0 52 224.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isopropyl-5-[(2R,4R)-4-methoxy…

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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) 0.56 3.58 -43.32 2 5 1 57 225.316 3 ↓
Mid Mid (pH 6-8) 0.56 2.21 -8.38 1 5 0 52 224.308 3 ↓

Analogs

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Popular Name: 3-tert-butyl-1-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 3-tert-butyl-1-methyl-5-[(2S)-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) 1.52 4.95 -41.11 2 4 1 47 209.317 2 ↓
Hi High (pH 8-9.5) 1.52 3.68 -9.25 1 4 0 43 208.309 2 ↓

Analogs

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Popular Name: 3-tert-butyl-1-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 3-tert-butyl-1-methyl-5-[(2R)-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) 1.52 5.12 -40.31 2 4 1 47 209.317 2 ↓
Hi High (pH 8-9.5) 1.52 3.78 -6.7 1 4 0 43 208.309 2 ↓

Analogs

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Popular Name: 3-tert-butyl-5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-tert-butyl-5-[(2S,4S)-4-methox…

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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 3.95 -44.52 2 5 1 57 239.343 3 ↓
Mid Mid (pH 6-8) 1.22 2.65 -11.53 1 5 0 52 238.335 3 ↓

Analogs

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Popular Name: 3-tert-butyl-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-tert-butyl-5-[(2R,4S)-4-methox…

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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 4.06 -40.95 2 5 1 57 239.343 3 ↓
Mid Mid (pH 6-8) 1.22 2.65 -6.85 1 5 0 52 238.335 3 ↓

Analogs

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Popular Name: 3-tert-butyl-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-tert-butyl-5-[(2S,4R)-4-methox…

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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 4.02 -42.26 2 5 1 57 239.343 3 ↓
Mid Mid (pH 6-8) 1.22 2.57 -8.57 1 5 0 52 238.335 3 ↓

Analogs

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Popular Name: 3-tert-butyl-5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-tert-butyl-5-[(2R,4R)-4-methox…

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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 4.14 -43.27 2 5 1 57 239.343 3 ↓
Mid Mid (pH 6-8) 1.22 2.77 -8.21 1 5 0 52 238.335 3 ↓

Analogs

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Popular Name: 3-isobutyl-1-methyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole 3-isobutyl-1-methyl-5-[(2S)-pyrr…

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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 5.17 -40.87 2 4 1 47 209.317 3 ↓
Hi High (pH 8-9.5) 1.12 3.96 -8.89 1 4 0 43 208.309 3 ↓

Analogs

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Popular Name: 3-isobutyl-1-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 3-isobutyl-1-methyl-5-[(2R)-pyrr…

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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 5.35 -40 2 4 1 47 209.317 3 ↓
Hi High (pH 8-9.5) 1.12 4.06 -6.41 1 4 0 43 208.309 3 ↓

Analogs

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Popular Name: 3-isobutyl-5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isobutyl-5-[(2S,4S)-4-methoxyp…

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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) 0.82 4.23 -44.51 2 5 1 57 239.343 4 ↓
Mid Mid (pH 6-8) 0.82 2.93 -11.15 1 5 0 52 238.335 4 ↓

Analogs

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Popular Name: 3-isobutyl-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isobutyl-5-[(2R,4S)-4-methoxyp…

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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) 0.82 4.34 -41.03 2 5 1 57 239.343 4 ↓
Mid Mid (pH 6-8) 0.82 2.94 -6.51 1 5 0 52 238.335 4 ↓

Analogs

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Popular Name: 3-isobutyl-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isobutyl-5-[(2S,4R)-4-methoxyp…

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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) 0.82 4.3 -42.21 2 5 1 57 239.343 4 ↓
Mid Mid (pH 6-8) 0.82 2.85 -8.21 1 5 0 52 238.335 4 ↓

Analogs

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Popular Name: 3-isobutyl-5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isobutyl-5-[(2R,4R)-4-methoxyp…

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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) 0.82 4.42 -43.29 2 5 1 57 239.343 4 ↓
Mid Mid (pH 6-8) 0.82 3.05 -7.85 1 5 0 52 238.335 4 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 143438 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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