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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(3R)-1-[(2-bromophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(2-bromophenyl)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) 3.43 8.23 -36.25 2 2 1 20 324.286 5 ↓
Lo Low (pH 4.5-6) 3.43 10.28 -96.06 3 2 2 21 325.294 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2-bromophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(2-bromophenyl)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) 3.43 7.98 -36.37 2 2 1 20 324.286 5 ↓
Lo Low (pH 4.5-6) 3.43 10.29 -96.32 3 2 2 21 325.294 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(5-bromo-2-fluoro-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(5-bromo-2-fluoro-ph…

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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 7.95 -37.8 2 2 1 20 342.276 5 ↓
Lo Low (pH 4.5-6) 3.57 10.18 -101.82 3 2 2 21 343.284 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(5-bromo-2-fluoro-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(5-bromo-2-fluoro-ph…

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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 8.13 -37 2 2 1 20 342.276 5 ↓
Lo Low (pH 4.5-6) 3.57 10.39 -100.61 3 2 2 21 343.284 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2-bromo-4-fluoro-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(2-bromo-4-fluoro-ph…

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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 8.23 -37.9 2 2 1 20 342.276 5 ↓
Lo Low (pH 4.5-6) 3.57 10.4 -101.87 3 2 2 21 343.284 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2-bromo-4-fluoro-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(2-bromo-4-fluoro-ph…

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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 8.3 -37.78 2 2 1 20 342.276 5 ↓
Lo Low (pH 4.5-6) 3.57 10.37 -102 3 2 2 21 343.284 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2-fluorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(2-fluorophenyl)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) 2.78 7.33 -38.54 2 2 1 20 263.38 5 ↓
Mid Mid (pH 6-8) 2.78 9.57 -99.52 3 2 2 21 264.388 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(2-fluorophenyl)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) 2.78 7.51 -37.07 2 2 1 20 263.38 5 ↓
Mid Mid (pH 6-8) 2.78 9.78 -97.59 3 2 2 21 264.388 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(4-chlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(4-chlorophenyl)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) 3.34 7.97 -38.36 2 2 1 20 279.835 5 ↓
Mid Mid (pH 6-8) 3.34 10.2 -106.7 3 2 2 21 280.843 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(4-chlorophenyl)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) 3.34 7.98 -38.41 2 2 1 20 279.835 5 ↓
Mid Mid (pH 6-8) 3.34 10.21 -106.86 3 2 2 21 280.843 5 ↓

Analogs

53157748
53157748
53157750
53157750

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Popular Name: N-[[(3R)-1-[(3-chlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(3-chlorophenyl)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) 3.32 7.96 -37.69 2 2 1 20 279.835 5 ↓
Mid Mid (pH 6-8) 3.32 10.19 -104.46 3 2 2 21 280.843 5 ↓

Analogs

53157748
53157748
53157750
53157750

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(3-chlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(3-chlorophenyl)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) 3.32 7.97 -38.51 2 2 1 20 279.835 5 ↓
Mid Mid (pH 6-8) 3.32 10.21 -105.44 3 2 2 21 280.843 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2,4-dichlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(2,4-dichlorophenyl)…

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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) 3.95 8.49 -37.24 2 2 1 20 314.28 5 ↓
Lo Low (pH 4.5-6) 3.95 10.73 -101.56 3 2 2 21 315.288 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2,4-dichlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(2,4-dichlorophenyl)…

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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) 3.95 8.56 -37.12 2 2 1 20 314.28 5 ↓
Lo Low (pH 4.5-6) 3.95 10.71 -101.62 3 2 2 21 315.288 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(3-bromophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(3-bromophenyl)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) 3.45 8.07 -37.69 2 2 1 20 324.286 5 ↓
Lo Low (pH 4.5-6) 3.45 10.29 -104.61 3 2 2 21 325.294 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(3-bromophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(3-bromophenyl)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) 3.45 8.08 -38.53 2 2 1 20 324.286 5 ↓
Lo Low (pH 4.5-6) 3.45 10.31 -105.56 3 2 2 21 325.294 5 ↓

Analogs

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Popular Name: (1-Benzyl-piperidin-3-ylmethyl)-cyclopropyl-amine (1-Benzyl-piperidin-3-ylmethyl)-…

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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) 2.66 7.45 -37.28 2 2 1 20 245.39 5 ↓
Mid Mid (pH 6-8) 2.66 9.68 -101.07 3 2 2 21 246.398 5 ↓

Analogs

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Popular Name: (1-Benzyl-piperidin-3-ylmethyl)-cyclopropyl-amine (1-Benzyl-piperidin-3-ylmethyl)-…

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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) 2.66 7.46 -37.35 2 2 1 20 245.39 5 ↓
Mid Mid (pH 6-8) 2.66 9.69 -101.23 3 2 2 21 246.398 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-(p-tolylmethyl)-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-(p-tolylmethyl)-3-pip…

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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 8.13 -37.3 2 2 1 20 259.417 5 ↓
Mid Mid (pH 6-8) 3.11 10.35 -101.26 3 2 2 21 260.425 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-(p-tolylmethyl)-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-(p-tolylmethyl)-3-pip…

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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 8.14 -37.38 2 2 1 20 259.417 5 ↓
Mid Mid (pH 6-8) 3.11 10.36 -101.34 3 2 2 21 260.425 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(4-fluorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(4-fluorophenyl)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) 2.83 7.52 -39.22 2 2 1 20 263.38 5 ↓
Mid Mid (pH 6-8) 2.83 9.74 -107.83 3 2 2 21 264.388 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(4-fluorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(4-fluorophenyl)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) 2.83 7.53 -39.31 2 2 1 20 263.38 5 ↓
Mid Mid (pH 6-8) 2.83 9.75 -107.98 3 2 2 21 264.388 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-(m-tolylmethyl)-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-(m-tolylmethyl)-3-pip…

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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 8.12 -37.39 2 2 1 20 259.417 5 ↓
Mid Mid (pH 6-8) 3.09 10.34 -101.48 3 2 2 21 260.425 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-(m-tolylmethyl)-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-(m-tolylmethyl)-3-pip…

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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 8.12 -37.43 2 2 1 20 259.417 5 ↓
Mid Mid (pH 6-8) 3.09 10.36 -101.67 3 2 2 21 260.425 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-(o-tolylmethyl)-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-(o-tolylmethyl)-3-pip…

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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 8.17 -38.1 2 2 1 20 259.417 5 ↓
Mid Mid (pH 6-8) 3.06 10.33 -102.2 3 2 2 21 260.425 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-(o-tolylmethyl)-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-(o-tolylmethyl)-3-pip…

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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 8.45 -38.04 2 2 1 20 259.417 5 ↓
Mid Mid (pH 6-8) 3.06 10.38 -101.97 3 2 2 21 260.425 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(4-bromophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(4-bromophenyl)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) 3.47 8.08 -38.34 2 2 1 20 324.286 5 ↓
Mid Mid (pH 6-8) 3.47 10.3 -106.99 3 2 2 21 325.294 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(4-bromophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(4-bromophenyl)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) 3.47 8.09 -38.42 2 2 1 20 324.286 5 ↓
Mid Mid (pH 6-8) 3.47 10.31 -107.13 3 2 2 21 325.294 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(2-chloro-4-fluoro-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) 3.44 8.05 -37.87 2 2 1 20 297.825 5 ↓
Lo Low (pH 4.5-6) 3.44 10.29 -102.26 3 2 2 21 298.833 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(2-chloro-4-fluoro-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) 3.44 8.12 -37.77 2 2 1 20 297.825 5 ↓
Lo Low (pH 4.5-6) 3.44 10.27 -102.39 3 2 2 21 298.833 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2-chlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(2-chlorophenyl)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) 3.29 8.06 -36.2 2 2 1 20 279.835 5 ↓
Lo Low (pH 4.5-6) 3.29 10.19 -96.37 3 2 2 21 280.843 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2-chlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(2-chlorophenyl)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) 3.29 7.9 -36.4 2 2 1 20 279.835 5 ↓
Lo Low (pH 4.5-6) 3.29 10.18 -96.62 3 2 2 21 280.843 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(3-methoxyphenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(3-methoxyphenyl)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) 2.70 6.75 -38.49 2 3 1 29 275.416 6 ↓
Mid Mid (pH 6-8) 2.70 8.98 -102.26 3 3 2 30 276.424 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(3-methoxyphenyl)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) 2.70 6.74 -39.29 2 3 1 29 275.416 6 ↓
Mid Mid (pH 6-8) 2.70 8.99 -103.03 3 3 2 30 276.424 6 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(4-isopropylphenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(4-isopropylphenyl)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) 4.18 9.38 -36.98 2 2 1 20 287.471 6 ↓
Mid Mid (pH 6-8) 4.18 11.61 -101.3 3 2 2 21 288.479 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(4-isopropylphenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(4-isopropylphenyl)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) 4.18 9.39 -37.01 2 2 1 20 287.471 6 ↓
Mid Mid (pH 6-8) 4.18 11.62 -101.56 3 2 2 21 288.479 6 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(3,4-dichlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(3,4-dichlorophenyl)…

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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) 3.95 8.42 -39.15 2 2 1 20 314.28 5 ↓
Mid Mid (pH 6-8) 3.95 10.64 -110 3 2 2 21 315.288 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(3,4-dichlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(3,4-dichlorophenyl)…

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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) 3.95 8.43 -39.97 2 2 1 20 314.28 5 ↓
Mid Mid (pH 6-8) 3.95 10.66 -110.94 3 2 2 21 315.288 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2,6-dichlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(2,6-dichlorophenyl)…

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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 8.07 -36.41 2 2 1 20 314.28 5 ↓
Lo Low (pH 4.5-6) 3.92 10.29 -93.49 3 2 2 21 315.288 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(2,6-dichlorophenyl)…

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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 8.08 -36.46 2 2 1 20 314.28 5 ↓
Lo Low (pH 4.5-6) 3.92 10.3 -93.67 3 2 2 21 315.288 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(3-fluoro-4-methoxy-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(3-fluoro-4-methoxy-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 6.82 -41.34 2 3 1 29 293.406 6 ↓
Mid Mid (pH 6-8) 2.81 9.05 -109.89 3 3 2 30 294.414 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(3-fluoro-4-methoxy-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(3-fluoro-4-methoxy-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 6.83 -42.58 2 3 1 29 293.406 6 ↓
Mid Mid (pH 6-8) 2.81 9.06 -110.96 3 3 2 30 294.414 6 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(4-bromo-2-fluoro-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(4-bromo-2-fluoro-ph…

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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 8.15 -37.6 2 2 1 20 342.276 5 ↓
Mid Mid (pH 6-8) 3.57 10.42 -102.91 3 2 2 21 343.284 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(4-bromo-2-fluoro-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(4-bromo-2-fluoro-ph…

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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 8.21 -37.45 2 2 1 20 342.276 5 ↓
Mid Mid (pH 6-8) 3.57 10.42 -102.81 3 2 2 21 343.284 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(5-chloro-2-methoxy-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(5-chloro-2-methoxy-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.51 -37.84 2 3 1 29 309.861 6 ↓
Mid Mid (pH 6-8) 3.33 9.75 -100.27 3 3 2 30 310.869 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(5-chloro-2-methoxy-phenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(5-chloro-2-methoxy-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.34 -38.04 2 3 1 29 309.861 6 ↓
Mid Mid (pH 6-8) 3.33 9.61 -99.49 3 3 2 30 310.869 6 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(2,3-difluorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(2,3-difluorophenyl)…

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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) 2.90 7.58 -39.3 2 2 1 20 281.37 5 ↓
Mid Mid (pH 6-8) 2.90 9.86 -102.72 3 2 2 21 282.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(2,3-difluorophenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(2,3-difluorophenyl)…

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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) 2.90 7.65 -38.99 2 2 1 20 281.37 5 ↓
Mid Mid (pH 6-8) 2.90 9.86 -102.64 3 2 2 21 282.378 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(3,5-dimethylphenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3R)-1-[(3,5-dimethylphenyl)…

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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 8.78 -37.4 2 2 1 20 273.444 5 ↓
Mid Mid (pH 6-8) 3.49 11.01 -101.84 3 2 2 21 274.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(3,5-dimethylphenyl)methyl]-3-piperidyl]methyl]cyclopropanamine N-[[(3S)-1-[(3,5-dimethylphenyl)…

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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 8.77 -37.54 2 2 1 20 273.444 5 ↓
Mid Mid (pH 6-8) 3.49 11.02 -102.06 3 2 2 21 274.452 5 ↓

Parameters Provided:

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