UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21794615
21794615
21808051
21808051

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Popular Name: (4S)-4-anilino-4-phenyl-butan-2-one (4S)-4-anilino-4-phenyl-butan-2-one

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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) 3.19 1.06 -7.31 1 2 0 29 239.318 5 ↓

Analogs

21794615
21794615
21808051
21808051

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Popular Name: (4R)-4-anilino-4-phenyl-butan-2-one (4R)-4-anilino-4-phenyl-butan-2-one

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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) 3.19 1.16 -7.69 1 2 0 29 239.318 5 ↓

Analogs

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Popular Name: 2-[4-[(1S)-1-aminoethyl]-N-benzyl-2-chloro-anilino]ethanol 2-[4-[(1S)-1-aminoethyl]-N-benzy…

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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) 1.28 6.29 -47.88 4 3 1 51 305.829 6 ↓
Hi High (pH 8-9.5) 1.28 5.99 -3.13 3 3 0 49 304.821 6 ↓

Analogs

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Popular Name: 2-[4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-anilino]ethanol 2-[4-[(1R)-1-aminoethyl]-N-benzy…

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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) 1.28 6.28 -48.1 4 3 1 51 305.829 6 ↓
Hi High (pH 8-9.5) 1.28 5.95 -3.69 3 3 0 49 304.821 6 ↓

Analogs

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Popular Name: 2-[4-[(1S)-1-aminoethyl]-N-benzyl-2-bromo-anilino]ethanol 2-[4-[(1S)-1-aminoethyl]-N-benzy…

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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) 1.41 6.47 -47.74 4 3 1 51 350.28 6 ↓
Hi High (pH 8-9.5) 1.41 6.17 -2.94 3 3 0 49 349.272 6 ↓

Analogs

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Popular Name: 2-[4-[(1R)-1-aminoethyl]-N-benzyl-2-bromo-anilino]ethanol 2-[4-[(1R)-1-aminoethyl]-N-benzy…

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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) 1.41 6.46 -48.01 4 3 1 51 350.28 6 ↓
Hi High (pH 8-9.5) 1.41 6.13 -3.52 3 3 0 49 349.272 6 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-N-(m-tolylmethyl)methanesulfonamide N-(2,5-dimethoxyphenyl)-N-(m-tol…

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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) 3.28 -1.22 -13.43 0 5 0 55 335.425 6 ↓

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide N-(2,4-dimethoxyphenyl)-N-[(4-fl…

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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) 3.02 -0.7 -11.62 0 5 0 55 339.388 6 ↓

Analogs

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Popular Name: N-Benzyl-2-bromo-N-phenylpropionamide N-Benzyl-2-bromo-N-phenylpropion…

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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) 3.86 9.4 -6.75 0 2 0 20 318.214 4 ↓

Analogs

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Popular Name: N-Benzyl-2-bromo-N-phenylpropionamide N-Benzyl-2-bromo-N-phenylpropion…

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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) 3.86 9.99 -6.83 0 2 0 20 318.214 4 ↓

Analogs

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Popular Name: 4-[(4-methyl-3-nitro-anilino)methyl]benzoic 4-[(4-methyl-3-nitro-anilino)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) 3.44 9.02 -53.55 1 6 -1 98 285.279 5 ↓

Analogs

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Popular Name: 3-[(4-methyl-3-nitro-anilino)methyl]benzoic 3-[(4-methyl-3-nitro-anilino)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) 3.42 9 -53.76 1 6 -1 98 285.279 5 ↓

Analogs

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Popular Name: (2S)-2-(4-methyl-3-nitro-anilino)-2-phenyl-acetic (2S)-2-(4-methyl-3-nitro-anilino…

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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) 2.96 9.28 -45.48 1 6 -1 98 285.279 5 ↓

Analogs

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Popular Name: (2R)-2-(4-methyl-3-nitro-anilino)-2-phenyl-acetic (2R)-2-(4-methyl-3-nitro-anilino…

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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) 2.96 9.25 -45.51 1 6 -1 98 285.279 5 ↓

Analogs

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Popular Name: N1-benzyl-N1,4-dimethyl-benzene-1,3-diamine N1-benzyl-N1,4-dimethyl-benzene-…

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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) 3.30 7.32 -4.57 2 2 0 29 226.323 3 ↓

Analogs

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Popular Name: N1-benzyl-N1-isopropyl-4-methyl-benzene-1,3-diamine N1-benzyl-N1-isopropyl-4-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) 3.97 8.54 -4.06 2 2 0 29 254.377 4 ↓
Lo Low (pH 4.5-6) 3.97 8.9 -16.57 3 2 0 30 255.385 4 ↓

Analogs

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Popular Name: N1,4-dimethyl-N1-(p-tolylmethyl)benzene-1,3-diamine N1,4-dimethyl-N1-(p-tolylmethyl)…

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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) 3.75 7.99 -4.59 2 2 0 29 240.35 3 ↓

Analogs

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Popular Name: N1-[(3-fluorophenyl)methyl]-N1,4-dimethyl-benzene-1,3-diamine N1-[(3-fluorophenyl)methyl]-N1,4…

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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) 3.44 7.39 -4.98 2 2 0 29 244.313 3 ↓

Analogs

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Popular Name: N1-[(4-chlorophenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(4-chlorophenyl)methyl]-4-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) 3.73 6.28 -3.71 3 2 0 38 246.741 3 ↓

Analogs

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Popular Name: N-[[2-(methoxymethyl)phenyl]methyl]-4-methyl-3-nitro-aniline N-[[2-(methoxymethyl)phenyl]meth…

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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) 3.44 8.28 -8.81 1 5 0 67 286.331 6 ↓

Analogs

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Popular Name: N1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-methyl-benzene-1,3-diamine N1-[(1S)-1-(2,4-dichlorophenyl)e…

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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) 4.90 7.46 -3.91 3 2 0 38 295.213 3 ↓

Analogs

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Popular Name: N1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methyl-benzene-1,3-diamine N1-[(1R)-1-(2,4-dichlorophenyl)e…

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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) 4.90 7.44 -3.86 3 2 0 38 295.213 3 ↓

Analogs

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Popular Name: N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-3-nitro-aniline N-[[3-(methoxymethyl)phenyl]meth…

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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) 3.46 8.17 -9.09 1 5 0 67 286.331 6 ↓

Analogs

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Popular Name: 4-methyl-N1-[(1S)-1-phenylethyl]benzene-1,3-diamine 4-methyl-N1-[(1S)-1-phenylethyl]…

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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) 3.61 6.48 -3.82 3 2 0 38 226.323 3 ↓

Analogs

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Popular Name: 4-methyl-N1-[(1R)-1-phenylethyl]benzene-1,3-diamine 4-methyl-N1-[(1R)-1-phenylethyl]…

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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) 3.61 6.48 -3.84 3 2 0 38 226.323 3 ↓

Analogs

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Popular Name: N1-[(2-methoxyphenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(2-methoxyphenyl)methyl]-4-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) 3.06 5.09 -5.29 3 3 0 47 242.322 4 ↓

Analogs

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Popular Name: N1-benzyl-4-methyl-benzene-1,3-diamine N1-benzyl-4-methyl-benzene-1,3-d…

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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 5.76 -3.67 3 2 0 38 212.296 3 ↓

Analogs

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Popular Name: N-[(2-bromo-5-fluoro-phenyl)methyl]-4-methyl-3-nitro-aniline N-[(2-bromo-5-fluoro-phenyl)meth…

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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) 4.43 9.01 -7.95 1 4 0 58 339.164 4 ↓

Analogs

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Popular Name: 4-methyl-N1-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,3-diamine 4-methyl-N1-[[3-(trifluoromethyl…

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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) 3.92 6.78 -4.79 3 2 0 38 280.293 4 ↓

Analogs

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Popular Name: N1-[(2-chlorophenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(2-chlorophenyl)methyl]-4-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) 3.68 6.17 -4.24 3 2 0 38 246.741 3 ↓

Analogs

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Popular Name: N1-[(4-methoxyphenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(4-methoxyphenyl)methyl]-4-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) 3.11 5.06 -4.95 3 3 0 47 242.322 4 ↓

Analogs

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Popular Name: N1-[(4-fluorophenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(4-fluorophenyl)methyl]-4-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) 3.22 5.82 -4.3 3 2 0 38 230.286 3 ↓

Analogs

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Popular Name: N1-[(2-fluorophenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(2-fluorophenyl)methyl]-4-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) 3.17 5.79 -5.26 3 2 0 38 230.286 3 ↓

Analogs

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Popular Name: 4-methyl-N1-(p-tolylmethyl)benzene-1,3-diamine 4-methyl-N1-(p-tolylmethyl)benze…

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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 6.43 -3.7 3 2 0 38 226.323 3 ↓

Analogs

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Popular Name: N1-[(3-fluorophenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(3-fluorophenyl)methyl]-4-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) 3.19 5.82 -4.59 3 2 0 38 230.286 3 ↓

Analogs

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Popular Name: N1-benzyl-N1-ethyl-4-methyl-benzene-1,3-diamine N1-benzyl-N1-ethyl-4-methyl-benz…

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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) 3.67 8.25 -4.27 2 2 0 29 240.35 4 ↓

Analogs

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Popular Name: N1-[(4-bromophenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(4-bromophenyl)methyl]-4-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) 3.86 6.38 -3.67 3 2 0 38 291.192 3 ↓

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-4-methyl-3-nitro-aniline N-[(3-chloro-4-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) 4.30 9.01 -10.51 1 4 0 58 294.713 4 ↓

Analogs

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Popular Name: N1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(3,4-dimethoxyphenyl)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) 2.70 4.95 -7.31 3 4 0 57 272.348 5 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-4-methyl-3-nitro-aniline N-[[4-(2-aminoethyl)phenyl]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 7.27 -50.68 4 5 1 85 286.355 6 ↓

Analogs

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Popular Name: N1,4-dimethyl-N1-(o-tolylmethyl)benzene-1,3-diamine N1,4-dimethyl-N1-(o-tolylmethyl)…

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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 8.59 -4.47 2 2 0 29 240.35 3 ↓

Analogs

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Popular Name: N1-[(2-fluorophenyl)methyl]-N1,4-dimethyl-benzene-1,3-diamine N1-[(2-fluorophenyl)methyl]-N1,4…

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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) 3.41 7.24 -4.94 2 2 0 29 244.313 3 ↓

Analogs

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Popular Name: N1-[(4-fluorophenyl)methyl]-N1,4-dimethyl-benzene-1,3-diamine N1-[(4-fluorophenyl)methyl]-N1,4…

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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) 3.46 7.39 -5.39 2 2 0 29 244.313 3 ↓

Analogs

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Popular Name: N1-benzyl-4-methyl-N1-propyl-benzene-1,3-diamine N1-benzyl-4-methyl-N1-propyl-ben…

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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) 4.18 9.01 -4.12 2 2 0 29 254.377 5 ↓

Analogs

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Popular Name: N1-[(4-ethylphenyl)methyl]-N1,4-dimethyl-benzene-1,3-diamine N1-[(4-ethylphenyl)methyl]-N1,4-…

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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) 4.21 8.76 -4.41 2 2 0 29 254.377 4 ↓

Analogs

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Popular Name: N1-ethyl-4-methyl-N1-(o-tolylmethyl)benzene-1,3-diamine N1-ethyl-4-methyl-N1-(o-tolylmet…

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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) 4.08 9.44 -4.07 2 2 0 29 254.377 4 ↓

Analogs

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Popular Name: 4-methyl-N1-(o-tolylmethyl)benzene-1,3-diamine 4-methyl-N1-(o-tolylmethyl)benze…

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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) 3.45 6.47 -3.49 3 2 0 38 226.323 3 ↓

Analogs

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Popular Name: 2-(N-benzyl-4-methyl-3-nitro-anilino)ethanol 2-(N-benzyl-4-methyl-3-nitro-ani…

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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) 3.14 7.72 -8.16 1 5 0 69 286.331 6 ↓

Analogs

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Popular Name: 4-methyl-N1-(m-tolylmethyl)benzene-1,3-diamine 4-methyl-N1-(m-tolylmethyl)benze…

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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) 3.48 6.42 -3.71 3 2 0 38 226.323 3 ↓

Analogs

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Popular Name: N1-[(3-methoxyphenyl)methyl]-4-methyl-benzene-1,3-diamine N1-[(3-methoxyphenyl)methyl]-4-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) 3.09 5.06 -5.24 3 3 0 47 242.322 4 ↓

Parameters Provided:

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

SQL Query Was

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