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

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Popular Name: 4-(5-chlorobenzotriazol-1-yl)-N,N-diethyl-pentan-1-amine 4-(5-chlorobenzotriazol-1-yl)-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) 3.70 2.37 -44.41 1 4 1 35 295.838 7 ↓

Analogs

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Popular Name: 1H-1,2,3-triazol-1-amine 1H-1,2,3-triazol-1-amine

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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) -0.76 -0.86 -9.81 2 4 0 57 84.082 0 ↓

Analogs

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Popular Name: 1-benzotriazol-2-yl-1-chloro-N-(3-nitrophenyl)-methanimine 1-benzotriazol-2-yl-1-chloro-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) 3.78 1.35 -13.34 0 7 0 88 301.693 3 ↓

Analogs

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Popular Name: 1-benzotriazol-2-yl-1-morpholino-N-(3-nitrophenyl)-methanimine 1-benzotriazol-2-yl-1-morpholino…

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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) 3.05 0.35 -13.92 0 9 0 101 352.354 4 ↓

Analogs

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Popular Name: benzotriazol-1-yl-(5-bromo-2-hydroxy-phenyl)-methanone benzotriazol-1-yl-(5-bromo-2-hyd…

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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) 3.55 -0.57 -10.62 1 5 0 68 318.13 1 ↓

Analogs

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Popular Name: benzotriazol-1-yl-(2,4-dihydroxyphenyl)-methanone benzotriazol-1-yl-(2,4-dihydroxy…

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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) 2.27 -1.76 -11.69 2 6 0 88 255.233 1 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 3.57 7.49 -56.14 2 4 1 47 287.774 3 ↓
Hi High (pH 8-9.5) 3.57 6.31 -10.05 1 4 0 43 286.766 3 ↓

Analogs

6747559
6747559
2801378
2801378
183719
183719

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Popular Name: benzotriazol-1-yl-(3-hydroxyphenyl)-methanone benzotriazol-1-yl-(3-hydroxyphen…

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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) 2.33 -0.56 -11.06 1 5 0 68 239.234 1 ↓

Analogs

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Popular Name: N'-(2-benzotriazol-1-ylacetyl)-4-bromo-benzohydrazide N'-(2-benzotriazol-1-ylacetyl)-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) 2.06 -3.11 -17.46 2 7 0 88 374.198 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]-N-methyl-ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 3.57 7.49 -54.89 2 4 1 47 287.774 3 ↓
Hi High (pH 8-9.5) 3.57 6.32 -11.04 1 4 0 43 286.766 3 ↓

Analogs

5778263
5778263

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Popular Name: 4-(3-benzotriazol-1-yl-2-hydroxy-propoxy)benzoic 4-(3-benzotriazol-1-yl-2-hydroxy…

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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) 2.30 -1.92 -59.84 1 7 -1 100 312.305 6 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 3.94 8.34 -54.67 2 4 1 47 301.801 4 ↓
Hi High (pH 8-9.5) 3.94 7.24 -10.43 1 4 0 43 300.793 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 3.94 8.33 -53.52 2 4 1 47 301.801 4 ↓
Hi High (pH 8-9.5) 3.94 7.23 -9.67 1 4 0 43 300.793 4 ↓

Analogs

5778242
5778242

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Popular Name: 4-(3-benzotriazol-1-yl-2-hydroxy-propoxy)benzoic 4-(3-benzotriazol-1-yl-2-hydroxy…

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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) 2.30 -1.91 -59.84 1 7 -1 100 312.305 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 1.31 5.72 -62.19 3 4 1 58 273.747 2 ↓
Hi High (pH 8-9.5) 1.31 5.39 -11.14 2 4 0 57 272.739 2 ↓

Analogs

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Popular Name: 1-(thiadiazol-4-ylmethyl)benzotriazole 1-(thiadiazol-4-ylmethyl)benzotr…

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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) 1.78 0.02 -13.48 0 5 0 56 217.257 2 ↓

Analogs

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Popular Name: 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzotriazole 1-[[5-(4-bromophenyl)-1,3,4-oxad…

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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) 3.18 -2.06 -12.1 0 6 0 69 356.183 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-chloro-phenyl]ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 1.31 5.71 -60.86 3 4 1 58 273.747 2 ↓
Hi High (pH 8-9.5) 1.31 5.42 -10.16 2 4 0 57 272.739 2 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)sulfonylbenzotriazole 1-(2-chlorophenyl)sulfonylbenzot…

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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 -2.43 -15.21 0 5 0 64 293.735 2 ↓

Analogs

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Popular Name: 1-[4-(2-furyl)thiadiazol-5-yl]benzotriazole 1-[4-(2-furyl)thiadiazol-5-yl]be…

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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) 2.58 1.31 -12.05 0 6 0 69 269.289 2 ↓

Analogs

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Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 3.70 7.61 -55.87 2 4 1 47 332.225 3 ↓
Hi High (pH 8-9.5) 3.70 6.43 -9.72 1 4 0 43 331.217 3 ↓

Analogs

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Popular Name: 1-[4-(2-thienyl)thiadiazol-5-yl]benzotriazole 1-[4-(2-thienyl)thiadiazol-5-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) 3.23 0.18 -10.82 0 5 0 56 285.357 2 ↓

Analogs

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Popular Name: 1-(1-oxido-2-pyridyl)benzotriazole 1-(1-oxido-2-pyridyl)benzotriazole

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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) 0.74 1.55 -33.83 0 5 0 56 212.212 1 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 3.70 7.61 -54.55 2 4 1 47 332.225 3 ↓
Hi High (pH 8-9.5) 3.70 6.43 -10.66 1 4 0 43 331.217 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 4.07 8.46 -54.32 2 4 1 47 346.252 4 ↓
Hi High (pH 8-9.5) 4.07 7.36 -10.08 1 4 0 43 345.244 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 4.07 8.44 -53.13 2 4 1 47 346.252 4 ↓
Hi High (pH 8-9.5) 4.07 7.34 -9.31 1 4 0 43 345.244 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]ethanamine (1S)-1-[4-(benzotriazol-1-yl)-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) 1.44 5.84 -61.93 3 4 1 58 318.198 2 ↓
Hi High (pH 8-9.5) 1.44 5.51 -10.76 2 4 0 57 317.19 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]ethanamine (1R)-1-[4-(benzotriazol-1-yl)-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) 1.44 5.83 -60.56 3 4 1 58 318.198 2 ↓
Hi High (pH 8-9.5) 1.44 5.53 -9.75 2 4 0 57 317.19 2 ↓

Analogs

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Popular Name: 5-(benzotriazole-1-carbonyl)-2-chloro-N,N-diethyl-benzenesulfonamide 5-(benzotriazole-1-carbonyl)-2-c…

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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) 3.50 -1.93 -13.1 0 7 0 85 392.868 5 ↓

Analogs

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Popular Name: dimethyl 1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate dimethyl 1-{2-[(4-chlorophenyl)a…

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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) 1.48 2.37 -20.67 1 9 0 112 352.734 7 ↓

Analogs

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Popular Name: 1-[(2-ethylphenyl)carbamoylmethyl]triazole-4,5-dicarboxylic 1-[(2-ethylphenyl)carbamoylmethy…

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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) 1.15 0.19 -129.37 1 9 -2 140 316.273 6 ↓

Analogs

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Popular Name: 1-[(3-fluoro-4-methyl-phenyl)carbamoylmethyl]triazole-4,5-dicarboxylic 1-[(3-fluoro-4-methyl-phenyl)car…

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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 0.11 -133.27 1 9 -2 140 320.236 5 ↓

Analogs

4969650
4969650

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Popular Name: 1-[(2,4,6-trimethylphenyl)carbamoylmethyl]triazole-4,5-dicarboxylic 1-[(2,4,6-trimethylphenyl)carbam…

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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) 0.54 0.73 -126.77 1 9 -2 140 330.3 5 ↓

Analogs

4969645
4969645

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Popular Name: 1-[1-[(2-fluorophenyl)carbamoyl]propyl]triazole-4,5-dicarboxylic 1-[1-[(2-fluorophenyl)carbamoyl]…

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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) 1.26 0.66 -121.86 1 9 -2 140 334.263 6 ↓

Analogs

4969645
4969645

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Popular Name: 1-[1-[(2-fluorophenyl)carbamoyl]propyl]triazole-4,5-dicarboxylic 1-[1-[(2-fluorophenyl)carbamoyl]…

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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) 1.26 0.85 -125.44 1 9 -2 140 334.263 6 ↓

Analogs

4315794
4315794
4315918
4315918

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Popular Name: dimethyl dimethyl

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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) 1.91 6.52 -10.68 0 7 0 83 275.264 5 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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) 1.62 4.9 -11.41 0 7 0 83 279.227 5 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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) 2.35 4.6 -11.46 0 7 0 83 289.291 6 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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 4.77 -10.78 0 7 0 83 289.291 5 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 2.47 4.42 -10.22 0 7 0 83 303.318 7 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 3.06 4.71 -10.27 0 7 0 83 317.345 7 ↓

Analogs

36639126
36639126
36639127
36639127
36639128
36639128
36639129
36639129
36639130
36639130

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Popular Name: diethyl diethyl

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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) 3.11 4.04 -12.17 0 8 0 92 353.762 8 ↓

Analogs

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Popular Name: diethyl diethyl

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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) 2.83 3.34 -8.66 0 7 0 83 368.187 7 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-5-methyl-N-thiazol-2-yl-triazole-4-carboxamide 1-(4-fluorophenyl)-5-methyl-N-th…

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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) 1.70 0.6 -10.98 1 6 0 72 303.322 3 ↓

Analogs

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Popular Name: N-(2-cyanophenyl)-5-methyl-1-phenyl-triazole-4-carboxamide N-(2-cyanophenyl)-5-methyl-1-phe…

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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 2.43 -12.05 1 6 0 83 303.325 3 ↓

Analogs

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Popular Name: 1-[[1-(p-tolylsulfonyl)-4-piperidyl]oxy]benzotriazole 1-[[1-(p-tolylsulfonyl)-4-piperi…

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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 -2.84 -13.76 0 7 0 77 372.45 4 ↓

Analogs

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Popular Name: N-(2-cyanophenyl)-1-(4-fluorophenyl)-5-methyl-triazole-4-carboxamide N-(2-cyanophenyl)-1-(4-fluorophe…

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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) 2.35 3.17 -11.06 1 6 0 83 321.315 3 ↓

Analogs

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Popular Name: [2-(1-adamantyl)-2-oxo-ethyl] [2-(1-adamantyl)-2-oxo-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) 3.31 11.31 -11.1 0 6 0 74 365.433 6 ↓

Analogs

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Popular Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (5-phenyl-1,3,4-oxadiazol-2-yl)m…

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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) 2.22 4.76 -12.79 0 8 0 96 347.334 6 ↓

Analogs

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Popular Name: 2-thienylcarbonylaminocarbamoylmethyl 2-thienylcarbonylaminocarbamoylm…

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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) 1.00 5.67 -15.27 2 9 0 115 371.378 7 ↓

Parameters Provided:

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

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