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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 4.22 9.06 -4.98 2 2 0 29 254.377 5 ↓
Lo Low (pH 4.5-6) 4.22 9.5 -16.56 3 2 0 30 255.385 5 ↓

Analogs

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Popular Name: 4-methyl-N1-(3-phenylpropyl)benzene-1,3-diamine 4-methyl-N1-(3-phenylpropyl)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) 3.98 7.31 -4.41 3 2 0 38 240.35 5 ↓

Analogs

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Popular Name: 4-methyl-N1-[(1S)-1-methyl-3-phenyl-propyl]benzene-1,3-diamine 4-methyl-N1-[(1S)-1-methyl-3-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) 4.97 8.12 -4.02 3 2 0 38 254.377 5 ↓

Analogs

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Popular Name: 4-methyl-N1-[(1R)-1-methyl-3-phenyl-propyl]benzene-1,3-diamine 4-methyl-N1-[(1R)-1-methyl-3-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) 4.97 8.12 -4.04 3 2 0 38 254.377 5 ↓

Analogs

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Popular Name: (1S)-N'-ethyl-N'-(m-tolyl)-1-phenyl-propane-1,3-diamine (1S)-N'-ethyl-N'-(m-tolyl)-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) 2.23 9.36 -50.37 3 2 1 31 269.412 6 ↓

Analogs

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Popular Name: (1R)-N'-ethyl-N'-(m-tolyl)-1-phenyl-propane-1,3-diamine (1R)-N'-ethyl-N'-(m-tolyl)-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) 2.23 9.36 -50.89 3 2 1 31 269.412 6 ↓

Analogs

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Popular Name: (2R)-N1-ethyl-N1-(m-tolyl)-3-phenyl-propane-1,2-diamine (2R)-N1-ethyl-N1-(m-tolyl)-3-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) 3.51 9.65 -45.19 3 2 1 31 269.412 6 ↓
Hi High (pH 8-9.5) 3.51 9.36 -4.2 2 2 0 29 268.404 6 ↓

Analogs

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Popular Name: N-methyl-3-[[(1S)-1-methyl-3-phenyl-propyl]amino]benzamide N-methyl-3-[[(1S)-1-methyl-3-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) 4.28 7.71 -11.4 2 3 0 41 282.387 6 ↓

Analogs

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Popular Name: N-methyl-3-[[(1R)-1-methyl-3-phenyl-propyl]amino]benzamide N-methyl-3-[[(1R)-1-methyl-3-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) 4.28 7.71 -11.4 2 3 0 41 282.387 6 ↓

Analogs

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Popular Name: N-methyl-3-(3-phenylpropylamino)benzamide N-methyl-3-(3-phenylpropylamino)…

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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) 3.29 6.88 -11.97 2 3 0 41 268.36 6 ↓

Analogs

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Popular Name: 3-[[(1S)-1-methyl-3-phenyl-propyl]amino]benzamide 3-[[(1S)-1-methyl-3-phenyl-propy…

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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) 3.91 6.19 -11.46 3 3 0 55 268.36 6 ↓

Analogs

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Popular Name: 3-[[(1R)-1-methyl-3-phenyl-propyl]amino]benzamide 3-[[(1R)-1-methyl-3-phenyl-propy…

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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) 3.91 6.19 -11.47 3 3 0 55 268.36 6 ↓

Analogs

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Popular Name: 3-[[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]amino]benzamide 3-[[(1S)-3-(4-hydroxyphenyl)-1-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) 3.43 3.32 -15.04 4 4 0 75 284.359 6 ↓

Analogs

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Popular Name: 3-[[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]amino]benzamide 3-[[(1R)-3-(4-hydroxyphenyl)-1-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) 3.43 3.32 -15.38 4 4 0 75 284.359 6 ↓

Analogs

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Popular Name: 3-(3-phenylpropylamino)benzamide 3-(3-phenylpropylamino)benzamide

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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) 2.91 5.37 -11.99 3 3 0 55 254.333 6 ↓

Analogs

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Popular Name: 2-[4-[[(1S)-1-methyl-3-phenyl-propyl]amino]phenoxy]acetonitrile 2-[4-[[(1S)-1-methyl-3-phenyl-pr…

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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) 4.96 9.48 -9.33 1 3 0 45 280.371 7 ↓

Analogs

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Popular Name: 2-[4-[[(1R)-1-methyl-3-phenyl-propyl]amino]phenoxy]acetonitrile 2-[4-[[(1R)-1-methyl-3-phenyl-pr…

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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) 4.96 9.48 -9.34 1 3 0 45 280.371 7 ↓

Analogs

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Popular Name: 2-[4-(3-phenylpropylamino)phenoxy]acetonitrile 2-[4-(3-phenylpropylamino)phenox…

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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) 3.96 8.65 -9.73 1 3 0 45 266.344 7 ↓

Analogs

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Popular Name: N1-methyl-4-nitro-N1-(3-phenylpropyl)benzene-1,2-diamine N1-methyl-4-nitro-N1-(3-phenylpr…

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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 9.93 -6.49 2 5 0 75 285.347 6 ↓

Analogs

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Popular Name: 4-nitro-N1-(3-phenylpropyl)benzene-1,2-diamine 4-nitro-N1-(3-phenylpropyl)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) 3.49 7.53 -9.35 3 5 0 84 271.32 6 ↓

Analogs

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Popular Name: N1-[(1S)-1-methyl-3-phenyl-propyl]-4-nitro-benzene-1,2-diamine N1-[(1S)-1-methyl-3-phenyl-propy…

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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) 4.48 8.33 -9.27 3 5 0 84 285.347 6 ↓

Analogs

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Popular Name: N1-[(1R)-1-methyl-3-phenyl-propyl]-4-nitro-benzene-1,2-diamine N1-[(1R)-1-methyl-3-phenyl-propy…

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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) 4.48 8.33 -9.3 3 5 0 84 285.347 6 ↓

Analogs

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Popular Name: 2-(aminomethyl)-4-chloro-N-methyl-N-(3-phenylpropyl)aniline 2-(aminomethyl)-4-chloro-N-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) 4.15 9.6 -47.47 3 2 1 31 289.83 6 ↓
Hi High (pH 8-9.5) 4.15 9.35 -2.66 2 2 0 29 288.822 6 ↓

Analogs

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Popular Name: 2-(aminomethyl)-3-chloro-N-methyl-N-(3-phenylpropyl)aniline 2-(aminomethyl)-3-chloro-N-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) 4.13 9.68 -41.22 3 2 1 31 289.83 6 ↓
Hi High (pH 8-9.5) 4.13 9.28 -3.72 2 2 0 29 288.822 6 ↓

Analogs

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Popular Name: 2-chloro-6-(3-phenylpropylamino)benzenecarbothioamide 2-chloro-6-(3-phenylpropylamino)…

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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) 4.50 8.35 -12.29 3 2 0 38 304.846 6 ↓

Analogs

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Popular Name: 2-chloro-6-[[(1S)-1-methyl-3-phenyl-propyl]amino]benzenecarbothioamide 2-chloro-6-[[(1S)-1-methyl-3-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) 5.50 9.12 -12.2 3 2 0 38 318.873 6 ↓

Analogs

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Popular Name: 2-chloro-6-[[(1R)-1-methyl-3-phenyl-propyl]amino]benzenecarbothioamide 2-chloro-6-[[(1R)-1-methyl-3-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) 5.50 9.11 -12.11 3 2 0 38 318.873 6 ↓

Analogs

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Popular Name: N-[3-(p-tolyl)propyl]aniline N-[3-(p-tolyl)propyl]aniline

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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) 4.57 9.33 -3.63 1 1 0 12 225.335 5 ↓

Analogs

44881255
44881255
44881258
44881258

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Popular Name: (2S)-N-methyl-N,3-diphenyl-propane-1,2-diamine (2S)-N-methyl-N,3-diphenyl-propa…

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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) 2.71 -0.66 -44.51 3 2 1 31 241.358 5 ↓

Analogs

44881255
44881255
44881258
44881258

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Popular Name: (2S)-N-ethyl-N,3-diphenyl-propane-1,2-diamine (2S)-N-ethyl-N,3-diphenyl-propan…

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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) 3.08 -0.36 -45.24 3 2 1 31 255.385 6 ↓

Analogs

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Popular Name: (2S)-N-ethyl-N-(m-tolyl)-3-phenyl-propane-1,2-diamine (2S)-N-ethyl-N-(m-tolyl)-3-pheny…

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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) 3.51 -0.04 -45.28 3 2 1 31 269.412 6 ↓

Analogs

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Popular Name: 2,3-dichloro-N-[(1S)-1-methyl-3-phenyl-propyl]aniline 2,3-dichloro-N-[(1S)-1-methyl-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) 6.37 10.52 -4.09 1 1 0 12 294.225 5 ↓

Analogs

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Popular Name: 2,3-dichloro-N-[(1R)-1-methyl-3-phenyl-propyl]aniline 2,3-dichloro-N-[(1R)-1-methyl-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) 6.37 10.53 -4.1 1 1 0 12 294.225 5 ↓

Analogs

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Popular Name: 2,5-dimethyl-N-[(1S)-1-methyl-3-phenyl-propyl]aniline 2,5-dimethyl-N-[(1S)-1-methyl-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) 5.94 10.93 -3.93 1 1 0 12 253.389 5 ↓

Analogs

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Popular Name: 2,5-dimethyl-N-[(1R)-1-methyl-3-phenyl-propyl]aniline 2,5-dimethyl-N-[(1R)-1-methyl-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) 5.94 10.93 -3.94 1 1 0 12 253.389 5 ↓

Analogs

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Popular Name: 2,3-dimethyl-N-[(1S)-1-methyl-3-phenyl-propyl]aniline 2,3-dimethyl-N-[(1S)-1-methyl-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) 5.92 10.94 -4.01 1 1 0 12 253.389 5 ↓

Analogs

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Popular Name: 2,3-dimethyl-N-[(1R)-1-methyl-3-phenyl-propyl]aniline 2,3-dimethyl-N-[(1R)-1-methyl-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) 5.92 10.94 -4 1 1 0 12 253.389 5 ↓

Analogs

37776689
37776689

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Popular Name: 4-(difluoromethoxy)-N-(3-phenylpropyl)aniline 4-(difluoromethoxy)-N-(3-phenylp…

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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) 4.73 8.21 -7.43 1 2 0 21 277.314 7 ↓

Analogs

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Popular Name: 3-fluoro-4-methyl-N-(3-phenylpropyl)aniline 3-fluoro-4-methyl-N-(3-phenylpro…

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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) 4.66 9.37 -4.96 1 1 0 12 243.325 5 ↓

Analogs

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Popular Name: benzenepropanamine, N-(3,5-dimethylphenyl)- benzenepropanamine, N-(3,5-dimet…

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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) 4.94 9.96 -4.32 1 1 0 12 239.362 5 ↓

Analogs

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Popular Name: 3-ethyl-N-[(1S)-1-methyl-3-phenyl-propyl]aniline 3-ethyl-N-[(1S)-1-methyl-3-pheny…

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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) 6.01 10.9 -3.64 1 1 0 12 253.389 6 ↓

Analogs

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Popular Name: 3-ethyl-N-[(1R)-1-methyl-3-phenyl-propyl]aniline 3-ethyl-N-[(1R)-1-methyl-3-pheny…

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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) 6.01 10.9 -3.6 1 1 0 12 253.389 6 ↓

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[(1S)-1-methyl-3-phenyl-propyl]aniline 3-fluoro-4-methyl-N-[(1S)-1-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) 5.65 10.19 -5.26 1 1 0 12 257.352 5 ↓

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[(1R)-1-methyl-3-phenyl-propyl]aniline 3-fluoro-4-methyl-N-[(1R)-1-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) 5.65 10.2 -5.27 1 1 0 12 257.352 5 ↓

Analogs

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Popular Name: 4-pentyl-N-(3-phenylpropyl)aniline 4-pentyl-N-(3-phenylpropyl)aniline

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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) 6.49 12.41 -3.64 1 1 0 12 281.443 9 ↓

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Popular Name: 4-bromo-N-(3-phenylpropyl)aniline 4-bromo-N-(3-phenylpropyl)aniline

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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) 4.93 9.27 -4.23 1 1 0 12 290.204 5 ↓

Analogs

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Popular Name: 3-ethynyl-N-[(1S)-1-methyl-3-phenyl-propyl]aniline 3-ethynyl-N-[(1S)-1-methyl-3-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) 4.85 10.67 -6.18 1 1 0 12 249.357 5 ↓

Analogs

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Popular Name: 3-ethynyl-N-[(1R)-1-methyl-3-phenyl-propyl]aniline 3-ethynyl-N-[(1R)-1-methyl-3-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) 4.85 10.67 -6.18 1 1 0 12 249.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S)-1-methyl-3-phenyl-propyl]aniline 3-fluoro-N-[(1S)-1-methyl-3-phen…

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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) 5.25 9.54 -4.5 1 1 0 12 243.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1R)-1-methyl-3-phenyl-propyl]aniline 3-fluoro-N-[(1R)-1-methyl-3-phen…

Find On: PubMed — Wikipedia — Google

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) 5.25 9.54 -5.14 1 1 0 12 243.325 5 ↓

Parameters Provided:

ring.id = 5633
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 5633 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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