UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35016554
35016554

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Popular Name: (1S)-1-(4-fluorophenyl)-2-methyl-N-(3-phenylpropyl)propan-1-amine (1S)-1-(4-fluorophenyl)-2-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) 5.29 11.54 -46.4 2 1 1 17 286.414 7 ↓

Analogs

35016552
35016552

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Popular Name: (1R)-1-(4-fluorophenyl)-2-methyl-N-(3-phenylpropyl)propan-1-amine (1R)-1-(4-fluorophenyl)-2-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) 5.29 11.68 -44.73 2 1 1 17 286.414 7 ↓

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3-phenyl-propan-1-amine N-[(2-chloro-5-nitro-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) 4.38 11 -49.5 2 4 1 62 305.785 7 ↓
Hi High (pH 8-9.5) 4.38 9.64 -5.99 1 4 0 58 304.777 7 ↓

Analogs

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Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-(3-phenylpropyl)propan-1-amine (1S)-1-(2,4-dichlorophenyl)-N-(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) 5.26 12 -43.47 2 1 1 17 323.287 7 ↓
Hi High (pH 8-9.5) 5.26 11.27 -2.51 1 1 0 12 322.279 7 ↓

Analogs

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Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-(3-phenylpropyl)propan-1-amine (1R)-1-(2,4-dichlorophenyl)-N-(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) 5.26 12.05 -43.26 2 1 1 17 323.287 7 ↓
Hi High (pH 8-9.5) 5.26 11.05 -2.92 1 1 0 12 322.279 7 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-(3-phenylpropylamino)ethyl]phenol 4-methyl-2-[(1R)-1-(3-phenylprop…

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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) 4.74 8.38 -41.82 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-(3-phenylpropylamino)ethyl]phenol 4-methyl-2-[(1S)-1-(3-phenylprop…

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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) 4.74 8.4 -43.09 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(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) 5.07 8.77 -39.74 3 2 1 37 284.423 6 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(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) 5.07 8.96 -41.58 3 2 1 37 284.423 6 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(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) 5.07 8.95 -40.53 3 2 1 37 284.423 6 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(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) 5.07 8.69 -40.5 3 2 1 37 284.423 6 ↓

Analogs

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Popular Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-3-phenyl-propan-1-amine N-[(5-bromo-2-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) 4.72 10.45 -43.28 2 1 1 17 323.229 6 ↓
Hi High (pH 8-9.5) 4.72 9.04 -3.87 1 1 0 12 322.221 6 ↓

Analogs

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Popular Name: 4-[(3-phenylpropylamino)methyl]phenol 4-[(3-phenylpropylamino)methyl]p…

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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) 3.34 6.91 -47.35 3 2 1 37 242.342 6 ↓
Hi High (pH 8-9.5) 3.34 7.7 -68.76 2 2 0 40 241.334 6 ↓

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-3-phenyl-propan-1-amine N-[(4-bromophenyl)methyl]-3-phen…

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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) 4.63 10.41 -48.49 2 1 1 17 305.239 6 ↓

Analogs

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Popular Name: 2-methoxy-4-[(3-phenylpropylamino)methyl]phenol 2-methoxy-4-[(3-phenylpropylamin…

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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) 3.16 6.92 -51.64 3 3 1 46 272.368 7 ↓
Hi High (pH 8-9.5) 3.16 7.86 -72.88 2 3 0 49 271.36 7 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-3-phenyl-propan-1-amine N-[(3-bromophenyl)methyl]-3-phen…

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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) 4.60 10.4 -46.81 2 1 1 17 305.239 6 ↓

Analogs

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Popular Name: benzenepropanamine, N-[(3,4-dimethoxyphenyl)methyl]- benzenepropanamine, N-[(3,4-dime…

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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) 3.47 9.03 -51.07 2 3 1 35 286.395 8 ↓

Analogs

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Popular Name: benzenepropanamine, N-[(2,4-dimethoxyphenyl)methyl]- benzenepropanamine, N-[(2,4-dime…

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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 8.53 -42.36 2 3 1 35 286.395 8 ↓

Analogs

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Popular Name: benzenepropanamine, N-[(3-methoxyphenyl)methyl]- benzenepropanamine, N-[(3-methox…

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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) 3.85 9.11 -44.92 2 2 1 26 256.369 7 ↓

Analogs

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Popular Name: 2-ethoxy-4-[(3-phenylpropylamino)methyl]phenol 2-ethoxy-4-[(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) 3.53 7.84 -51.74 3 3 1 46 286.395 8 ↓

Analogs

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Popular Name: 2-methoxy-5-[(3-phenylpropylamino)methyl]phenol 2-methoxy-5-[(3-phenylpropylamin…

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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) 3.16 6.92 -53.16 3 3 1 46 272.368 7 ↓
Hi High (pH 8-9.5) 3.16 7.87 -64.67 2 3 0 49 271.36 7 ↓

Analogs

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Popular Name: N-[4-[(3-phenylpropylamino)methyl]phenyl]acetamide N-[4-[(3-phenylpropylamino)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) 3.04 8.66 -51.69 3 3 1 46 283.395 7 ↓

Analogs

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Popular Name: 4-[(3-phenylpropylamino)methyl]benzene-1,2-diol 4-[(3-phenylpropylamino)methyl]b…

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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) 2.85 4.94 -51.86 4 3 1 57 258.341 6 ↓
Hi High (pH 8-9.5) 2.85 5.74 -76.38 3 3 0 60 257.333 6 ↓
Hi High (pH 8-9.5) 2.85 5.89 -57.55 3 3 0 60 257.333 6 ↓

Analogs

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Popular Name: 3-[(3-phenylpropylamino)methyl]benzonitrile 3-[(3-phenylpropylamino)methyl]b…

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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 10.16 -53.87 2 2 1 40 251.353 6 ↓
Hi High (pH 8-9.5) 3.55 8.76 -6.08 1 2 0 36 250.345 6 ↓

Analogs

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Popular Name: 2-[(3-phenylpropylamino)methyl]phenol 2-[(3-phenylpropylamino)methyl]p…

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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) 3.76 7.03 -40.7 3 2 1 37 242.342 6 ↓
Hi High (pH 8-9.5) 3.76 7.82 -35.66 2 2 0 40 241.334 6 ↓

Analogs

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Popular Name: 4-[(3-phenylpropylamino)methyl]benzene-1,3-diol 4-[(3-phenylpropylamino)methyl]b…

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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) 3.26 4.14 -45 4 3 1 57 258.341 6 ↓
Hi High (pH 8-9.5) 3.26 4.93 -37.19 3 3 0 60 257.333 6 ↓

Analogs

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Popular Name: 4-[(1R)-1-(3-phenylpropylamino)ethyl]phenol 4-[(1R)-1-(3-phenylpropylamino)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) 3.90 7.68 -45.59 3 2 1 37 256.369 6 ↓
Hi High (pH 8-9.5) 3.90 8.47 -67.18 2 2 0 40 255.361 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-(3-phenylpropylamino)ethyl]phenol 4-[(1S)-1-(3-phenylpropylamino)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) 3.90 7.68 -45.6 3 2 1 37 256.369 6 ↓
Hi High (pH 8-9.5) 3.90 8.46 -67.1 2 2 0 40 255.361 6 ↓

Analogs

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Popular Name: 4-[(1R)-1-(3-phenylpropylamino)ethyl]benzonitrile 4-[(1R)-1-(3-phenylpropylamino)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) 4.13 10.94 -53.99 2 2 1 40 265.38 6 ↓
Hi High (pH 8-9.5) 4.13 9.69 -6.32 1 2 0 36 264.372 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-(3-phenylpropylamino)ethyl]benzonitrile 4-[(1S)-1-(3-phenylpropylamino)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) 4.13 10.93 -53.96 2 2 1 40 265.38 6 ↓
Hi High (pH 8-9.5) 4.13 9.67 -5.7 1 2 0 36 264.372 6 ↓

Analogs

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Popular Name: 2-[(1R)-1-(3-phenylpropylamino)ethyl]phenol 2-[(1R)-1-(3-phenylpropylamino)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) 4.32 7.8 -42.05 3 2 1 37 256.369 6 ↓
Hi High (pH 8-9.5) 4.32 8.58 -48.16 2 2 0 40 255.361 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-(3-phenylpropylamino)ethyl]phenol 2-[(1S)-1-(3-phenylpropylamino)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) 4.32 7.82 -42.18 3 2 1 37 256.369 6 ↓
Hi High (pH 8-9.5) 4.32 8.61 -48.27 2 2 0 40 255.361 6 ↓

Analogs

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Popular Name: 2-ethoxy-6-[(3-phenylpropylamino)methyl]phenol 2-ethoxy-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) 3.74 8.22 -52.16 3 3 1 46 286.395 8 ↓
Hi High (pH 8-9.5) 3.74 8.86 -38.01 2 3 0 49 285.387 8 ↓

Analogs

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Popular Name: 2-methoxy-6-[(3-phenylpropylamino)methyl]phenol 2-methoxy-6-[(3-phenylpropylamin…

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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) 3.36 7.31 -52.33 3 3 1 46 272.368 7 ↓
Hi High (pH 8-9.5) 3.36 7.94 -38 2 3 0 49 271.36 7 ↓

Analogs

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Popular Name: 4-[(1R)-1-(3-phenylpropylamino)ethyl]benzene-1,3-diol 4-[(1R)-1-(3-phenylpropylamino)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) 3.82 4.93 -45.61 4 3 1 57 272.368 6 ↓
Hi High (pH 8-9.5) 3.82 5.72 -48.84 3 3 0 60 271.36 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-(3-phenylpropylamino)ethyl]benzene-1,3-diol 4-[(1S)-1-(3-phenylpropylamino)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) 3.82 4.94 -45.65 4 3 1 57 272.368 6 ↓
Hi High (pH 8-9.5) 3.82 5.73 -48.95 3 3 0 60 271.36 6 ↓

Analogs

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Popular Name: 4-[(3-phenylpropylamino)methyl]benzonitrile 4-[(3-phenylpropylamino)methyl]b…

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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 10.18 -55.85 2 2 1 40 251.353 6 ↓
Hi High (pH 8-9.5) 3.57 8.77 -6.39 1 2 0 36 250.345 6 ↓

Analogs

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Popular Name: methyl 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) 3.99 10.45 -54.57 2 3 1 43 284.379 8 ↓
Hi High (pH 8-9.5) 3.99 9.03 -7.11 1 3 0 38 283.371 8 ↓

Analogs

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Popular Name: 2-[(1R)-1-(3-phenylpropylamino)ethyl]benzene-1,4-diol 2-[(1R)-1-(3-phenylpropylamino)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) 3.82 4.91 -42.44 4 3 1 57 272.368 6 ↓

Analogs

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Popular Name: 2-[(1S)-1-(3-phenylpropylamino)ethyl]benzene-1,4-diol 2-[(1S)-1-(3-phenylpropylamino)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) 3.82 4.92 -42.44 4 3 1 57 272.368 6 ↓

Analogs

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Popular Name: 4-methoxy-2-[(1R)-1-(3-phenylpropylamino)ethyl]phenol 4-methoxy-2-[(1R)-1-(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) 4.35 7.11 -42.04 3 3 1 46 286.395 7 ↓
Hi High (pH 8-9.5) 4.35 7.89 -45.73 2 3 0 49 285.387 7 ↓

Analogs

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Popular Name: 4-methoxy-2-[(1S)-1-(3-phenylpropylamino)ethyl]phenol 4-methoxy-2-[(1S)-1-(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) 4.35 7.12 -42.06 3 3 1 46 286.395 7 ↓
Hi High (pH 8-9.5) 4.35 7.9 -45.86 2 3 0 49 285.387 7 ↓

Analogs

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Popular Name: 3-[(1R)-1-(3-phenylpropylamino)ethyl]phenol 3-[(1R)-1-(3-phenylpropylamino)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) 3.87 7.68 -47.73 3 2 1 37 256.369 6 ↓
Hi High (pH 8-9.5) 3.87 8.46 -64.96 2 2 0 40 255.361 6 ↓

Analogs

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Popular Name: 3-[(1S)-1-(3-phenylpropylamino)ethyl]phenol 3-[(1S)-1-(3-phenylpropylamino)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) 3.87 7.68 -47.71 3 2 1 37 256.369 6 ↓
Hi High (pH 8-9.5) 3.87 8.47 -64.97 2 2 0 40 255.361 6 ↓

Analogs

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Popular Name: 2-methoxy-4-[(1R)-1-(3-phenylpropylamino)ethyl]phenol 2-methoxy-4-[(1R)-1-(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) 3.72 7.83 -47.32 3 3 1 46 286.395 7 ↓
Hi High (pH 8-9.5) 3.72 8.62 -70.92 2 3 0 49 285.387 7 ↓

Analogs

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Popular Name: 2-methoxy-4-[(1S)-1-(3-phenylpropylamino)ethyl]phenol 2-methoxy-4-[(1S)-1-(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) 3.72 7.82 -47.34 3 3 1 46 286.395 7 ↓
Hi High (pH 8-9.5) 3.72 8.61 -70.91 2 3 0 49 285.387 7 ↓

Analogs

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Popular Name: N-[(3-bromo-4-fluoro-phenyl)methyl]-3-phenyl-propan-1-amine N-[(3-bromo-4-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) 4.72 10.44 -52.78 2 1 1 17 323.229 6 ↓

Analogs

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Popular Name: benzenepropanamine, N-[(2,3-dimethoxyphenyl)methyl]- benzenepropanamine, N-[(2,3-dime…

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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) 3.64 9.13 -42.82 2 3 1 35 286.395 8 ↓

Analogs

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Popular Name: 3-[(3-phenylpropylamino)methyl]phenol 3-[(3-phenylpropylamino)methyl]p…

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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) 3.32 6.9 -49.64 3 2 1 37 242.342 6 ↓
Hi High (pH 8-9.5) 3.32 7.7 -61.8 2 2 0 40 241.334 6 ↓

Analogs

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-3-phenyl-propan-1-amine N-[(2,5-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) 3.86 8.51 -40.42 2 3 1 35 286.395 8 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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