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Analogs

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Popular Name: 5-[(1S,2R)-2-methyl-1-phenyl-butyl]-4H-1,2,4-triazol-3-amine 5-[(1S,2R)-2-methyl-1-phenyl-but…

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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) 2.49 7.46 -7.17 3 4 0 68 230.315 4 ↓

Analogs

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Popular Name: 5-[(1S,2S)-2-methyl-1-phenyl-butyl]-4H-1,2,4-triazol-3-amine 5-[(1S,2S)-2-methyl-1-phenyl-but…

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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) 2.49 7.49 -7.26 3 4 0 68 230.315 4 ↓

Analogs

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Popular Name: 5-[(1R,2R)-2-methyl-1-phenyl-butyl]-4H-1,2,4-triazol-3-amine 5-[(1R,2R)-2-methyl-1-phenyl-but…

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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) 2.49 7.49 -7.3 3 4 0 68 230.315 4 ↓

Analogs

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Popular Name: 5-[(1R,2S)-2-methyl-1-phenyl-butyl]-4H-1,2,4-triazol-3-amine 5-[(1R,2S)-2-methyl-1-phenyl-but…

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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) 2.49 7.45 -7.13 3 4 0 68 230.315 4 ↓

Analogs

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Popular Name: 5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine 5-[(3-fluorophenyl)methyl]-1H-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) 1.40 5.64 -8.33 3 4 0 68 192.197 2 ↓

Analogs

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Popular Name: 3-(2-phenylpropan-2-yl)-1H-1,2,4-triazol-5-amine 3-(2-phenylpropan-2-yl)-1H-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) 1.69 6.3 -7.68 3 4 0 68 202.261 2 ↓

Analogs

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Popular Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-4H-1,2,4-triazol-3-amine 5-[(2-chloro-6-fluoro-phenyl)met…

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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) 2.01 6.03 -8.84 3 4 0 68 226.642 2 ↓

Analogs

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Popular Name: (5-methyl-1H-1,2,4-triazol-3-yl)(phenyl)methanamine (5-methyl-1H-1,2,4-triazol-3-yl)…

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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) 0.55 3.03 -40.28 4 4 1 69 189.242 2 ↓
Mid Mid (pH 6-8) 0.55 2.71 -7.42 3 4 0 68 188.234 2 ↓

Analogs

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Popular Name: (5-methyl-1H-1,2,4-triazol-3-yl)(phenyl)methanamine (5-methyl-1H-1,2,4-triazol-3-yl)…

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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) 0.55 3.03 -40.25 4 4 1 69 189.242 2 ↓
Mid Mid (pH 6-8) 0.55 2.7 -8 3 4 0 68 188.234 2 ↓

Analogs

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Popular Name: (R)-(5-ethyl-1H-1,2,4-triazol-3-yl)-phenyl-methanamine (R)-(5-ethyl-1H-1,2,4-triazol-3-…

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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 3.65 -40.05 4 4 1 69 203.269 3 ↓
Mid Mid (pH 6-8) 1.12 3.33 -6.89 3 4 0 68 202.261 3 ↓

Analogs

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Popular Name: (S)-(5-ethyl-1H-1,2,4-triazol-3-yl)-phenyl-methanamine (S)-(5-ethyl-1H-1,2,4-triazol-3-…

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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 3.65 -39.86 4 4 1 69 203.269 3 ↓
Mid Mid (pH 6-8) 1.12 3.32 -7.44 3 4 0 68 202.261 3 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1R)-1-(5-methyl-1H-1,2,4-triazo…

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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) 0.99 3.51 -39.47 4 4 1 69 203.269 2 ↓
Mid Mid (pH 6-8) 0.99 3.27 -8.07 3 4 0 68 202.261 2 ↓

Analogs

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Popular Name: (1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1S)-1-(5-methyl-1H-1,2,4-triazo…

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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) 0.99 3.51 -39.51 4 4 1 69 203.269 2 ↓
Mid Mid (pH 6-8) 0.99 3.28 -6.91 3 4 0 68 202.261 2 ↓

Analogs

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Popular Name: (1R)-1-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1R)-1-(5-ethyl-1H-1,2,4-triazol…

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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) 1.57 4.13 -39.24 4 4 1 69 217.296 3 ↓
Mid Mid (pH 6-8) 1.57 3.9 -6.4 3 4 0 68 216.288 3 ↓

Analogs

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Popular Name: (1S)-1-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1S)-1-(5-ethyl-1H-1,2,4-triazol…

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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) 1.57 4.13 -39.01 4 4 1 69 217.296 3 ↓
Mid Mid (pH 6-8) 1.57 3.89 -7.54 3 4 0 68 216.288 3 ↓

Analogs

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Popular Name: 3-[(1R)-1-amino-1-phenyl-ethyl]-1H-1,2,4-triazol-5-amine 3-[(1R)-1-amino-1-phenyl-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) 0.71 3.28 -39.85 6 5 1 95 204.257 2 ↓
Mid Mid (pH 6-8) 0.71 3.03 -8.02 5 5 0 94 203.249 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-amino-1-phenyl-ethyl]-1H-1,2,4-triazol-5-amine 3-[(1S)-1-amino-1-phenyl-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) 0.71 3.28 -39.9 6 5 1 95 204.257 2 ↓
Mid Mid (pH 6-8) 0.71 3.06 -6.91 5 5 0 94 203.249 2 ↓

Analogs

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Popular Name: (1R)-1-(5-isopropyl-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1R)-1-(5-isopropyl-1H-1,2,4-tri…

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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 4.66 -38.68 4 4 1 69 231.323 3 ↓
Mid Mid (pH 6-8) 2.05 4.42 -7.04 3 4 0 68 230.315 3 ↓

Analogs

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Popular Name: (1S)-1-(5-isopropyl-1H-1,2,4-triazol-3-yl)-1-phenyl-ethanamine (1S)-1-(5-isopropyl-1H-1,2,4-tri…

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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 4.66 -38.62 4 4 1 69 231.323 3 ↓
Mid Mid (pH 6-8) 2.05 4.43 -5.83 3 4 0 68 230.315 3 ↓

Analogs

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Popular Name: (1R)-1-phenyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)ethanamine (1R)-1-phenyl-1-(5-propyl-1H-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) 2.07 4.9 -39.23 4 4 1 69 231.323 4 ↓
Mid Mid (pH 6-8) 2.07 4.67 -6.04 3 4 0 68 230.315 4 ↓

Analogs

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Popular Name: (1S)-1-phenyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)ethanamine (1S)-1-phenyl-1-(5-propyl-1H-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) 2.07 4.9 -38.98 4 4 1 69 231.323 4 ↓
Mid Mid (pH 6-8) 2.07 4.66 -7.22 3 4 0 68 230.315 4 ↓

Analogs

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Popular Name: (1R)-1-phenyl-1-(1H-1,2,4-triazol-3-yl)ethanamine (1R)-1-phenyl-1-(1H-1,2,4-triazo…

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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) 0.91 3.67 -40.62 4 4 1 69 189.242 2 ↓
Mid Mid (pH 6-8) 0.91 3.42 -8.37 3 4 0 68 188.234 2 ↓

Analogs

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Popular Name: (1S)-1-phenyl-1-(1H-1,2,4-triazol-3-yl)ethanamine (1S)-1-phenyl-1-(1H-1,2,4-triazo…

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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) 0.91 3.67 -40.63 4 4 1 69 189.242 2 ↓
Mid Mid (pH 6-8) 0.91 3.44 -7.34 3 4 0 68 188.234 2 ↓

Analogs

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Popular Name: 2-[[5-[(3-chlorophenyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3-chlorophenyl)methyl]-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) 2.28 7.52 -42.02 1 5 -1 82 282.732 5 ↓

Analogs

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Popular Name: 2-[[5-[(2-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(2-fluorophenyl)methyl]-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) 1.74 7.05 -41.87 1 5 -1 82 266.277 5 ↓
Hi High (pH 8-9.5) 1.74 6.86 -102.8 0 5 -2 80 265.269 5 ↓

Analogs

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Popular Name: 2-[[5-(1-methyl-1-phenyl-ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(1-methyl-1-phenyl-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 7.73 -41.7 1 5 -1 82 276.341 5 ↓
Hi High (pH 8-9.5) 2.05 7.53 -103.3 0 5 -2 80 275.333 5 ↓

Analogs

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Popular Name: 2-[[5-[(4-bromophenyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(4-bromophenyl)methyl]-4H…

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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 7.63 -40.41 1 5 -1 82 327.183 5 ↓
Hi High (pH 8-9.5) 2.43 7.44 -96.57 0 5 -2 80 326.175 5 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-methylsulfanyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]propanamide (2R)-2-methyl-3-methylsulfanyl-N…

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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) 1.51 6.74 -12.23 2 5 0 71 304.419 6 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-methylsulfanyl-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]propanamide (2R)-2-methyl-3-methylsulfanyl-N…

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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) 1.51 6.74 -12.28 2 5 0 71 304.419 6 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-methylsulfanyl-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]propanamide (2S)-2-methyl-3-methylsulfanyl-N…

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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) 1.51 6.74 -12.33 2 5 0 71 304.419 6 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-methylsulfanyl-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]propanamide (2S)-2-methyl-3-methylsulfanyl-N…

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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) 1.51 6.74 -12.26 2 5 0 71 304.419 6 ↓

Analogs

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Popular Name: N-[(3R)-5-[(4-chlorophenyl)methyl]-3H-1,2,4-triazol-3-yl]propanamide N-[(3R)-5-[(4-chlorophenyl)methy…

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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) 2.51 7.9 -15.09 2 5 0 71 264.716 4 ↓
Mid Mid (pH 6-8) 2.51 7.89 -9.76 2 5 0 71 264.716 4 ↓

Analogs

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Popular Name: N-[(3R)-5-[(4-chlorophenyl)methyl]-3H-1,2,4-triazol-3-yl]-2-methyl-propanamide N-[(3R)-5-[(4-chlorophenyl)methy…

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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) 2.76 8.56 -14.46 2 5 0 71 278.743 4 ↓
Mid Mid (pH 6-8) 2.76 8.56 -8.94 2 5 0 71 278.743 4 ↓

Analogs

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Popular Name: N-[2-[(3R)-5-(p-tolylmethyl)-3H-1,2,4-triazol-3-yl]ethyl]propane-1-sulfonamide N-[2-[(3R)-5-(p-tolylmethyl)-3H-…

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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 4.94 -15.25 2 6 0 88 322.434 8 ↓

Analogs

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Popular Name: N-[2-[(3R)-5-(p-tolylmethyl)-3H-1,2,4-triazol-3-yl]ethyl]ethanesulfonamide N-[2-[(3R)-5-(p-tolylmethyl)-3H-…

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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) 1.73 4.15 -15.4 2 6 0 88 308.407 7 ↓

Analogs

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Popular Name: N-[2-[(3R)-5-[(3-fluorophenyl)methyl]-3H-1,2,4-triazol-3-yl]ethyl]propane-1-sulfonamide N-[2-[(3R)-5-[(3-fluorophenyl)me…

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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) 1.92 4.34 -16.76 2 6 0 88 326.397 8 ↓

Analogs

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Popular Name: tert-butyl tert-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) 1.56 4.3 -12.66 3 8 0 109 345.403 7 ↓

Analogs

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Popular Name: tert-butyl tert-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) 1.56 4.28 -12.63 3 8 0 109 345.403 7 ↓

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Popular Name: 2,2-dimethyl-N-[(1R)-1-methyl-2-[[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]amino]-2-oxo-et 2,2-dimethyl-N-[(1R)-1-methyl-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) 1.71 5.77 -12.75 3 7 0 100 343.431 6 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[(1R)-1-methyl-2-[[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]amino]-2-oxo-et 2,2-dimethyl-N-[(1R)-1-methyl-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) 1.71 5.77 -12.96 3 7 0 100 343.431 6 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[(1S)-1-methyl-2-[[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]amino]-2-oxo-et 2,2-dimethyl-N-[(1S)-1-methyl-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) 1.71 5.76 -12.95 3 7 0 100 343.431 6 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[(1S)-1-methyl-2-[[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]amino]-2-oxo-et 2,2-dimethyl-N-[(1S)-1-methyl-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) 1.71 5.76 -12.76 3 7 0 100 343.431 6 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[3-[[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]amino]-3-oxo-propyl]propanami 2,2-dimethyl-N-[3-[[(R)-(5-methy…

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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) 1.65 5.55 -20.87 3 7 0 100 343.431 7 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[3-[[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]amino]-3-oxo-propyl]propanami 2,2-dimethyl-N-[3-[[(S)-(5-methy…

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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) 1.65 5.54 -20.9 3 7 0 100 343.431 7 ↓

Analogs

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Popular Name: 3-[(S)-[[butyl(methyl)sulfamoyl]amino]-phenyl-methyl]-5-methyl-1H-1,2,4-triazole 3-[(S)-[[butyl(methyl)sulfamoyl]…

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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) 1.74 4.76 -11.11 2 7 0 91 337.449 8 ↓
Mid Mid (pH 6-8) 1.74 4.42 -51.36 1 7 -1 93 336.441 8 ↓

Analogs

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Popular Name: 3-[(R)-[[butyl(methyl)sulfamoyl]amino]-phenyl-methyl]-5-methyl-1H-1,2,4-triazole 3-[(R)-[[butyl(methyl)sulfamoyl]…

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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) 1.74 4.55 -14.42 2 7 0 91 337.449 8 ↓
Mid Mid (pH 6-8) 1.74 4.45 -51.68 1 7 -1 93 336.441 8 ↓

Analogs

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Popular Name: N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]-2-propylsulfanyl-acetamide N-[(S)-(5-methyl-1H-1,2,4-triazo…

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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) 1.65 7.29 -13.8 2 5 0 71 304.419 7 ↓

Analogs

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Popular Name: N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]-2-propylsulfanyl-acetamide N-[(R)-(5-methyl-1H-1,2,4-triazo…

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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) 1.65 7.3 -13.77 2 5 0 71 304.419 7 ↓

Analogs

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Popular Name: 4-((1H-1,2,4-Triazol-3-yl)methyl)benzonitrile 4-((1H-1,2,4-Triazol-3-yl)methyl…

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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 6.35 -10.05 1 4 0 65 184.202 2 ↓

Analogs

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Popular Name: (2R)-2-allyloxy-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenyl-methyl]propanamide (2R)-2-allyloxy-N-[(R)-(5-methyl…

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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) 1.23 6.52 -16.5 2 6 0 80 300.362 7 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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