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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

37788053
37788053

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Popular Name: 1-(4-fluorophenyl)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]methanamine 1-(4-fluorophenyl)-N-[[3-fluoro-…

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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) 2.16 10.77 -63.83 2 4 1 47 301.32 5 ↓
Mid Mid (pH 6-8) 2.16 9.41 -9.32 1 4 0 43 300.312 5 ↓

Analogs

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Popular Name: 2-ethoxy-6-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]phenol 2-ethoxy-6-[[[(1S)-1-[4-(1,2,4-t…

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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) 2.17 9.55 -53.13 3 6 1 77 339.419 7 ↓
Mid Mid (pH 6-8) 2.17 8.42 -12.08 2 6 0 72 338.411 7 ↓

Analogs

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Popular Name: 2-ethoxy-6-[[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]phenol 2-ethoxy-6-[[[(1R)-1-[4-(1,2,4-t…

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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) 2.17 9.56 -52.55 3 6 1 77 339.419 7 ↓
Mid Mid (pH 6-8) 2.17 8.41 -11.5 2 6 0 72 338.411 7 ↓

Analogs

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Popular Name: 2-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]phenol 2-[[[(1S)-1-[4-(1,2,4-triazol-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) 2.19 8.62 -49.11 3 5 1 68 295.366 5 ↓
Hi High (pH 8-9.5) 2.19 7.47 -10.76 2 5 0 63 294.358 5 ↓

Analogs

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Popular Name: 2-[[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]phenol 2-[[[(1R)-1-[4-(1,2,4-triazol-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) 2.19 8.62 -48.95 3 5 1 68 295.366 5 ↓
Hi High (pH 8-9.5) 2.19 7.46 -11.38 2 5 0 63 294.358 5 ↓

Analogs

25364905
25364905
25364907
25364907

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Popular Name: (1S)-1-(3,4-difluorophenyl)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine (1S)-1-(3,4-difluorophenyl)-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) 2.81 10.34 -9.99 1 4 0 43 332.329 5 ↓
Mid Mid (pH 6-8) 2.81 11.46 -66.03 2 4 1 47 333.337 5 ↓

Analogs

25364905
25364905
25364907
25364907

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-difluorophenyl)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine (1R)-1-(3,4-difluorophenyl)-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) 2.81 10.34 -11.11 1 4 0 43 332.329 5 ↓
Mid Mid (pH 6-8) 2.81 11.44 -66.01 2 4 1 47 333.337 5 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]methanamine 1-(2-fluorophenyl)-N-[[3-fluoro-…

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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) 2.11 10.73 -54.23 2 4 1 47 301.32 5 ↓
Mid Mid (pH 6-8) 2.11 9.36 -8.18 1 4 0 43 300.312 5 ↓

Analogs

37788031
37788031

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Popular Name: 4-[[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-N,N-dimethyl-aniline 4-[[[3-fluoro-4-(1,2,4-triazol-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) 2.10 11.13 -56.57 2 5 1 51 326.399 6 ↓
Mid Mid (pH 6-8) 2.10 9.77 -8.66 1 5 0 46 325.391 6 ↓

Analogs

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Popular Name: 1-[2-[[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]phenyl]-N,N-dimethyl-methanamine 1-[2-[[[3-fluoro-4-(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) 1.75 12.64 -134.6 3 5 2 52 341.434 7 ↓
Hi High (pH 8-9.5) 1.75 12.11 -51.16 2 5 1 51 340.426 7 ↓
Hi High (pH 8-9.5) 1.75 9.17 -7.66 1 5 0 46 339.418 7 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]prop-2-en-1-amine N-[(3-methoxyphenyl)methyl]-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) 2.61 13.04 -47.29 1 5 1 44 335.431 8 ↓
Mid Mid (pH 6-8) 2.61 10.94 -9.75 0 5 0 43 334.423 8 ↓

Analogs

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Popular Name: N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-(2,3,4-trimethoxyphenyl)methanamine N-[[4-(1,2,4-triazol-1-yl)phenyl…

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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 9.97 -59.16 2 7 1 75 355.418 8 ↓
Hi High (pH 8-9.5) 1.52 8.59 -13.51 1 7 0 70 354.41 8 ↓

Analogs

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Popular Name: (1S)-N-[(3,5-dichloro-2-methoxy-phenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (1S)-N-[(3,5-dichloro-2-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) 3.52 11.84 -53.9 2 5 1 57 378.283 6 ↓
Mid Mid (pH 6-8) 3.52 10.7 -10.28 1 5 0 52 377.275 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(3,5-dichloro-2-methoxy-phenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (1R)-N-[(3,5-dichloro-2-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) 3.52 11.84 -53.6 2 5 1 57 378.283 6 ↓
Mid Mid (pH 6-8) 3.52 10.68 -11 1 5 0 52 377.275 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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