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Analogs

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Popular Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(4-fluorophenyl)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) 2.10 7.97 -18.08 1 2 0 21 222.288 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(4-fluorophenyl)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) 2.10 7.98 -18.07 1 2 0 21 222.288 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-chlorophenyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(2-chlorophenyl)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) 2.57 8.46 -18.19 1 2 0 21 238.743 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-chlorophenyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(2-chlorophenyl)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) 2.57 8.47 -18.21 1 2 0 21 238.743 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-chlorophenyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(3-chlorophenyl)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) 2.59 8.42 -15.65 1 2 0 21 238.743 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-chlorophenyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(3-chlorophenyl)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) 2.59 8.41 -15.63 1 2 0 21 238.743 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(4-chlorophenyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(4-chlorophenyl)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) 2.62 8.43 -17.57 1 2 0 21 238.743 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(4-chlorophenyl)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) 2.62 8.44 -17.54 1 2 0 21 238.743 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(4-bromophenyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(4-bromophenyl)ethyl]i…

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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) 2.75 8.53 -17.45 1 2 0 21 283.194 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-bromophenyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(4-bromophenyl)ethyl]i…

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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) 2.75 8.54 -17.46 1 2 0 21 283.194 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(o-tolyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(o-tolyl)ethyl]imidazo…

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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) 2.34 8.57 -15.23 1 2 0 21 218.325 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(o-tolyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(o-tolyl)ethyl]imidazo…

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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) 2.34 8.34 -15.46 1 2 0 21 218.325 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-fluorophenyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(2-fluorophenyl)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) 2.05 8.12 -21.39 1 2 0 21 222.288 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(2-fluorophenyl)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) 2.05 8.13 -21.34 1 2 0 21 222.288 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-fluorophenyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(3-fluorophenyl)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) 2.08 7.97 -16 1 2 0 21 222.288 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-fluorophenyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(3-fluorophenyl)ethyl]…

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Activity (Go SEA)

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) 2.08 7.97 -15.99 1 2 0 21 222.288 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(p-tolyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(p-tolyl)ethyl]imidazo…

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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) 2.39 8.58 -17.61 1 2 0 21 218.325 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(p-tolyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(p-tolyl)ethyl]imidazo…

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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) 2.39 8.58 -17.62 1 2 0 21 218.325 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-bromophenyl)ethyl]imidazole-2-thiol 1-[(1S)-1-(3-bromophenyl)ethyl]i…

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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) 2.72 8.52 -15.5 1 2 0 21 283.194 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-bromophenyl)ethyl]imidazole-2-thiol 1-[(1R)-1-(3-bromophenyl)ethyl]i…

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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) 2.72 8.52 -15.47 1 2 0 21 283.194 2 ↓

Analogs

53159056
53159056

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Popular Name: 1-[(3,4-difluorophenyl)methyl]imidazole-2-thiol 1-[(3,4-difluorophenyl)methyl]im…

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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) 1.83 7.79 -23.52 1 2 0 21 226.251 2 ↓

Analogs

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Popular Name: 1-[(3-bromophenyl)methyl]imidazole-2-thiol 1-[(3-bromophenyl)methyl]imidazo…

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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) 2.36 8.29 -19.96 1 2 0 21 269.167 2 ↓

Analogs

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Popular Name: 1-[(2-bromophenyl)methyl]imidazole-2-thiol 1-[(2-bromophenyl)methyl]imidazo…

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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) 2.34 7.94 -12.92 1 2 0 21 269.167 2 ↓

Parameters Provided:

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