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Analogs

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Popular Name: 4-[(1S)-1-(2-thienyl)propyl]-1,2,4-triazole-3-thiol 4-[(1S)-1-(2-thienyl)propyl]-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) 2.53 8.17 -43.08 0 3 -1 31 224.334 3 ↓
Mid Mid (pH 6-8) 1.81 8.08 -9.56 1 3 0 34 225.342 3 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2-thienyl)propyl]-1,2,4-triazole-3-thiol 4-[(1R)-1-(2-thienyl)propyl]-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) 2.53 8.38 -43.36 0 3 -1 31 224.334 3 ↓
Mid Mid (pH 6-8) 1.81 8.07 -9.5 1 3 0 34 225.342 3 ↓

Analogs

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Popular Name: 5-propyl-4-[(1S)-1-(2-thienyl)propyl]-1,2,4-triazole-3-thiol 5-propyl-4-[(1S)-1-(2-thienyl)pr…

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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) 3.70 9.56 -41.56 0 3 -1 31 266.415 5 ↓
Mid Mid (pH 6-8) 2.97 9.89 -10.65 1 3 0 34 267.423 5 ↓

Analogs

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Popular Name: 5-propyl-4-[(1R)-1-(2-thienyl)propyl]-1,2,4-triazole-3-thiol 5-propyl-4-[(1R)-1-(2-thienyl)pr…

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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) 3.70 9.69 -41.48 0 3 -1 31 266.415 5 ↓
Mid Mid (pH 6-8) 2.97 9.9 -10.65 1 3 0 34 267.423 5 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1S)-1-(2-thienyl)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) 1.98 9.48 -44.89 0 5 -1 71 282.37 6 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-1-(2-thienyl)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) 1.98 9.7 -45.37 0 5 -1 71 282.37 6 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(1S)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(1S)-1-(2-thieny…

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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 9.38 -52.01 0 5 -1 71 296.397 6 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(1R)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(1R)-1-(2-thieny…

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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 9.64 -52.33 0 5 -1 71 296.397 6 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(1S)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1S)-1-(2-thienyl…

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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 9.99 -51.52 0 5 -1 71 310.424 7 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(1R)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1R)-1-(2-thienyl…

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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 10.11 -51.77 0 5 -1 71 310.424 7 ↓

Analogs

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Popular Name: 2-[[5-propyl-4-[(1S)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-propyl-4-[(1S)-1-(2-thieny…

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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 10.77 -51.08 0 5 -1 71 324.451 8 ↓

Analogs

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Popular Name: 2-[[5-propyl-4-[(1R)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-propyl-4-[(1R)-1-(2-thieny…

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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 10.89 -51.24 0 5 -1 71 324.451 8 ↓

Analogs

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Popular Name: 2-[[5-isopropyl-4-[(1S)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-isopropyl-4-[(1S)-1-(2-thi…

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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) 3.13 10.43 -51.31 0 5 -1 71 324.451 7 ↓

Analogs

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Popular Name: 2-[[5-isopropyl-4-[(1R)-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-isopropyl-4-[(1R)-1-(2-thi…

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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) 3.13 10.68 -51.64 0 5 -1 71 324.451 7 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2-thienyl)butyl]-1,2,4-triazole-3-thiol 4-[(1S)-1-(2-thienyl)butyl]-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) 3.09 9.15 -43.67 0 3 -1 31 238.361 4 ↓
Mid Mid (pH 6-8) 2.37 8.85 -9.44 1 3 0 34 239.369 4 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2-thienyl)butyl]-1,2,4-triazole-3-thiol 4-[(1R)-1-(2-thienyl)butyl]-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) 3.09 9.15 -43.69 0 3 -1 31 238.361 4 ↓
Mid Mid (pH 6-8) 2.37 8.85 -9.36 1 3 0 34 239.369 4 ↓

Analogs

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Popular Name: 5-propyl-4-[(1S)-1-(2-thienyl)butyl]-1,2,4-triazole-3-thiol 5-propyl-4-[(1S)-1-(2-thienyl)bu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 10.34 -41.68 0 3 -1 31 280.442 6 ↓
Mid Mid (pH 6-8) 3.53 10.66 -10.67 1 3 0 34 281.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-propyl-4-[(1R)-1-(2-thienyl)butyl]-1,2,4-triazole-3-thiol 5-propyl-4-[(1R)-1-(2-thienyl)bu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 10.35 -41.47 0 3 -1 31 280.442 6 ↓
Mid Mid (pH 6-8) 3.53 10.68 -10.63 1 3 0 34 281.45 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(1S)-1-(2-thienyl)butyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1S)-1-(2-thienyl)butyl]-…

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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) 2.54 10.25 -44.76 0 5 -1 71 296.397 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(1R)-1-(2-thienyl)butyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-1-(2-thienyl)butyl]-…

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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) 2.54 10.25 -44.73 0 5 -1 71 296.397 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-methyl-4-[(1S)-1-(2-thienyl)butyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(1S)-1-(2-thieny…

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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) 2.63 10.16 -52.18 0 5 -1 71 310.424 7 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(1R)-1-(2-thienyl)butyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(1R)-1-(2-thieny…

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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) 2.63 10.16 -52.18 0 5 -1 71 310.424 7 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(1S)-1-(2-thienyl)butyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1S)-1-(2-thienyl…

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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 10.77 -51.72 0 5 -1 71 324.451 8 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(1R)-1-(2-thienyl)butyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1R)-1-(2-thienyl…

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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 10.89 -52.02 0 5 -1 71 324.451 8 ↓

Analogs

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Popular Name: 4-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,2,4-triazole-3-thiol 4-[(1S)-2-methyl-1-(2-thienyl)pr…

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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) 2.78 9.01 -43.49 0 3 -1 31 238.361 3 ↓
Mid Mid (pH 6-8) 2.05 8.66 -9.57 1 3 0 34 239.369 3 ↓

Analogs

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Popular Name: 4-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,2,4-triazole-3-thiol 4-[(1R)-2-methyl-1-(2-thienyl)pr…

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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) 2.78 9 -43.52 0 3 -1 31 238.361 3 ↓
Mid Mid (pH 6-8) 2.05 8.64 -9.45 1 3 0 34 239.369 3 ↓

Analogs

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Popular Name: 4-[(1R)-2-methyl-1-(2-thienyl)propyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(1R)-2-methyl-1-(2-thienyl)pr…

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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) 3.94 10.3 -41.76 0 3 -1 31 280.442 5 ↓
Mid Mid (pH 6-8) 3.21 10.46 -10.46 1 3 0 34 281.45 5 ↓

Analogs

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Popular Name: 4-[(1S)-2-methyl-1-(2-thienyl)propyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(1S)-2-methyl-1-(2-thienyl)pr…

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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) 3.94 10.42 -42.13 0 3 -1 31 280.442 5 ↓
Mid Mid (pH 6-8) 3.21 10.45 -10.5 1 3 0 34 281.45 5 ↓

Analogs

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Popular Name: 2-[[4-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1S)-2-methyl-1-(2-thieny…

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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) 2.23 10.32 -45.1 0 5 -1 71 296.397 6 ↓

Analogs

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Popular Name: 2-[[4-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-2-methyl-1-(2-thieny…

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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) 2.23 10.31 -45.09 0 5 -1 71 296.397 6 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(1R)-2-methyl-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) 2.31 10.24 -52.54 0 5 -1 71 310.424 6 ↓

Analogs

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Popular Name: 2-[[5-methyl-4-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-methyl-4-[(1S)-2-methyl-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) 2.31 10.23 -52.51 0 5 -1 71 310.424 6 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(1R)-2-methyl-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1R)-2-methyl-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) 2.89 10.72 -51.98 0 5 -1 71 324.451 7 ↓

Analogs

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Popular Name: 2-[[5-ethyl-4-[(1S)-2-methyl-1-(2-thienyl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1S)-2-methyl-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) 2.89 10.83 -52.11 0 5 -1 71 324.451 7 ↓

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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 = 580098 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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