UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1-pentyl-4-piperidyl)methyl]cyclopropanamine N-[(1-pentyl-4-piperidyl)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) 3.21 9.11 -93.65 3 2 2 21 226.408 7 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2-methoxyethyl)-4-piperid…

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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) 1.25 5.97 -91.3 3 3 2 30 214.353 6 ↓
Hi High (pH 8-9.5) 1.25 3.64 -36.94 2 3 1 29 213.345 6 ↓

Analogs

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Popular Name: N-[(1-ethyl-4-piperidyl)methyl]cyclopropanamine N-[(1-ethyl-4-piperidyl)methyl]c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 6.8 -90.65 3 2 2 21 184.327 4 ↓

Analogs

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Popular Name: N-[(1-butyl-4-piperidyl)methyl]cyclopropanamine N-[(1-butyl-4-piperidyl)methyl]c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 8.33 -93.12 3 2 2 21 212.381 6 ↓

Analogs

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Popular Name: N-[(1-isopentyl-4-piperidyl)methyl]cyclopropanamine N-[(1-isopentyl-4-piperidyl)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) 2.92 8.84 -94.12 3 2 2 21 226.408 6 ↓

Analogs

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Popular Name: N-[[1-(2,2,2-trifluoroethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2,2,2-trifluoroethyl)-4-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) 2.19 5.09 -38.19 2 2 1 20 237.289 5 ↓
Lo Low (pH 4.5-6) 2.19 7.18 -97.91 3 2 2 21 238.297 5 ↓

Analogs

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Popular Name: Cyclopropyl-(1-methyl-piperidin-4-ylmethyl)-amine Cyclopropyl-(1-methyl-piperidin-…

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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) 1.27 6.14 -90.4 3 2 2 21 170.3 3 ↓

Analogs

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Popular Name: N-[(1-isobutyl-4-piperidyl)methyl]cyclopropanamine N-[(1-isobutyl-4-piperidyl)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) 2.39 8.25 -92.71 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-[(1-propyl-4-piperidyl)methyl]cyclopropanamine N-[(1-propyl-4-piperidyl)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) 2.15 7.55 -92.08 3 2 2 21 198.354 5 ↓

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]cyclopropanamine N-[(1-isopropyl-4-piperidyl)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) 1.94 7.33 -90.3 3 2 2 21 198.354 4 ↓

Analogs

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Popular Name: N-[[1-(2-dimethylaminoethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2-dimethylaminoethyl)-4-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) 1.30 8.08 -177.87 4 3 3 25 228.404 6 ↓
Hi High (pH 8-9.5) 1.30 3.36 -36.58 2 3 1 23 226.388 6 ↓
Mid Mid (pH 6-8) 1.30 5.85 -79.08 3 3 2 24 227.396 6 ↓

Analogs

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Popular Name: N-[(1-hexyl-4-piperidyl)methyl]cyclopropanamine N-[(1-hexyl-4-piperidyl)methyl]c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 9.89 -93.91 3 2 2 21 240.435 8 ↓

Analogs

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Popular Name: N-[[1-(2-ethoxyethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2-ethoxyethyl)-4-piperidy…

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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) 1.63 6.94 -91.53 3 3 2 30 228.38 7 ↓
Hi High (pH 8-9.5) 1.63 4.62 -36.77 2 3 1 29 227.372 7 ↓

Analogs

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Popular Name: N-[[1-(3-methoxypropyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(3-methoxypropyl)-4-piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 6.62 -95.47 3 3 2 30 228.38 7 ↓
Hi High (pH 8-9.5) 1.52 4.39 -37.38 2 3 1 29 227.372 7 ↓

Analogs

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Popular Name: N-[[1-(2,2-difluoroethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2,2-difluoroethyl)-4-pipe…

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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) 1.84 4.93 -37.21 2 2 1 20 219.299 5 ↓
Mid Mid (pH 6-8) 1.84 7.04 -93.13 3 2 2 21 220.307 5 ↓

Analogs

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Popular Name: N-[[1-(2-isopropoxyethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2-isopropoxyethyl)-4-pipe…

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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) 1.99 7.68 -92.01 3 3 2 30 242.407 7 ↓
Hi High (pH 8-9.5) 1.99 5.38 -36.62 2 3 1 29 241.399 7 ↓

Analogs

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Popular Name: N-[[1-(2-butoxyethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2-butoxyethyl)-4-piperidy…

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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) 2.69 8.52 -92.11 3 3 2 30 256.434 9 ↓
Hi High (pH 8-9.5) 2.69 6.2 -36.64 2 3 1 29 255.426 9 ↓

Analogs

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Popular Name: N-[[1-(2-isopentyloxyethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2-isopentyloxyethyl)-4-pi…

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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 9.03 -92.36 3 3 2 30 270.461 9 ↓
Hi High (pH 8-9.5) 2.90 6.71 -36.52 2 3 1 29 269.453 9 ↓

Analogs

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Popular Name: N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]-4-piperidyl]methyl]cyclopropanamine N-[[1-[2-(2,2,2-trifluoroethoxy)…

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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) 2.18 7.39 -96.56 3 3 2 30 282.35 8 ↓
Hi High (pH 8-9.5) 2.18 5.06 -38.3 2 3 1 29 281.342 8 ↓

Analogs

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

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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) 2.45 8.04 -100.19 3 3 2 30 296.377 9 ↓
Hi High (pH 8-9.5) 2.45 5.81 -39.22 2 3 1 29 295.369 9 ↓

Analogs

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Popular Name: N-[[1-[(2R)-2-ethylhexyl]-4-piperidyl]methyl]cyclopropanamine N-[[1-[(2R)-2-ethylhexyl]-4-pipe…

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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) 4.46 10.92 -95.6 3 2 2 21 268.489 9 ↓

Analogs

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Popular Name: N-[[1-[(2S)-2-ethylhexyl]-4-piperidyl]methyl]cyclopropanamine N-[[1-[(2S)-2-ethylhexyl]-4-pipe…

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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) 4.46 11.06 -96.05 3 2 2 21 268.489 9 ↓

Analogs

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Popular Name: N-[[1-(2-methylsulfonylethyl)-4-piperidyl]methyl]cyclopropanamine N-[[1-(2-methylsulfonylethyl)-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) 0.67 4.33 -109.93 3 4 2 55 262.419 6 ↓
Mid Mid (pH 6-8) 0.67 2.11 -47.22 2 4 1 54 261.411 6 ↓

Analogs

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Popular Name: N-[[1-[(2R)-2-methylbutyl]-4-piperidyl]methyl]cyclopropanamine N-[[1-[(2R)-2-methylbutyl]-4-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) 2.89 8.88 -93.79 3 2 2 21 226.408 6 ↓

Analogs

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Popular Name: N-[[1-[(2S)-2-methylbutyl]-4-piperidyl]methyl]cyclopropanamine N-[[1-[(2S)-2-methylbutyl]-4-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) 2.89 8.89 -93.5 3 2 2 21 226.408 6 ↓

Analogs

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Popular Name: N-[[1-[(2R)-2-methylpentyl]-4-piperidyl]methyl]cyclopropanamine N-[[1-[(2R)-2-methylpentyl]-4-pi…

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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 9.67 -94.03 3 2 2 21 240.435 7 ↓

Analogs

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Popular Name: N-[[1-[(2S)-2-methylpentyl]-4-piperidyl]methyl]cyclopropanamine N-[[1-[(2S)-2-methylpentyl]-4-pi…

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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 9.65 -94.12 3 2 2 21 240.435 7 ↓

Analogs

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Popular Name: N-[(1-allyl-4-piperidyl)methyl]cyclopropanamine N-[(1-allyl-4-piperidyl)methyl]c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 7.37 -92.04 3 2 2 21 196.338 5 ↓
Hi High (pH 8-9.5) 1.91 5.1 -36.14 2 2 1 20 195.33 5 ↓

Analogs

42559856
42559856
21949057
21949057

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Popular Name: N-ethyl-N-(4-piperidylmethyl)cyclopropanamine N-ethyl-N-(4-piperidylmethyl)cyc…

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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) 1.29 6.18 -90.26 3 2 2 21 184.327 4 ↓

Analogs

42559856
42559856
21949057
21949057

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Popular Name: Cyclopropyl-methyl-piperidin-4-ylmethyl-amine Cyclopropyl-methyl-piperidin-4-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 5.82 -90.3 3 2 2 21 170.3 3 ↓

Analogs

42559856
42559856
21949057
21949057

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Popular Name: N-(4-piperidylmethyl)-N-propyl-cyclopropanamine N-(4-piperidylmethyl)-N-propyl-c…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 6.96 -91.16 3 2 2 21 198.354 5 ↓

Analogs

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Popular Name: (2S)-3-[4-[(cyclopropylamino)methyl]-1-piperidyl]-1,1,1-trifluoro-propan-2-ol (2S)-3-[4-[(cyclopropylamino)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) 1.55 4.78 -101 4 3 2 41 268.323 6 ↓
Mid Mid (pH 6-8) 1.55 5.27 -74.63 3 3 1 44 267.315 6 ↓

Analogs

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Popular Name: (2R)-3-[4-[(cyclopropylamino)methyl]-1-piperidyl]-1,1,1-trifluoro-propan-2-ol (2R)-3-[4-[(cyclopropylamino)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) 1.55 4.77 -100.61 4 3 2 41 268.323 6 ↓
Mid Mid (pH 6-8) 1.55 5.26 -73.43 3 3 1 44 267.315 6 ↓

Analogs

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Popular Name: (2R)-1-[4-[(cyclopropylamino)methyl]-1-piperidyl]-3-methoxy-propan-2-ol (2R)-1-[4-[(cyclopropylamino)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) 0.61 3.64 -96.49 4 4 2 51 244.379 7 ↓

Analogs

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Popular Name: (2S)-1-[4-[(cyclopropylamino)methyl]-1-piperidyl]-3-methoxy-propan-2-ol (2S)-1-[4-[(cyclopropylamino)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) 0.61 3.63 -97.53 4 4 2 51 244.379 7 ↓

Analogs

42559856
42559856

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Popular Name: N-ethyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine N-ethyl-N-[(4-methyl-4-piperidyl…

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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) 1.54 6.61 -90.14 3 2 2 21 198.354 4 ↓

Analogs

42559856
42559856

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Popular Name: N-methyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine N-methyl-N-[(4-methyl-4-piperidy…

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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) 1.16 6.03 -90.26 3 2 2 21 184.327 3 ↓

Analogs

42559856
42559856

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Popular Name: N-[(4-methyl-4-piperidyl)methyl]-N-propyl-cyclopropanamine N-[(4-methyl-4-piperidyl)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) 2.04 7.44 -90.82 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine N-[(4-methyl-4-piperidyl)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) 0.92 4.31 -92.72 4 2 2 33 170.3 3 ↓

Analogs

42559856
42559856

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Popular Name: N-butyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine N-butyl-N-[(4-methyl-4-piperidyl…

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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) 2.60 8.22 -92.13 3 2 2 21 226.408 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine N-(2-methoxyethyl)-N-[(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) 1.14 5.77 -89.11 3 3 2 30 228.38 6 ↓
Hi High (pH 8-9.5) 1.14 3.83 -35.99 2 3 1 29 227.372 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine N-isobutyl-N-[(4-methyl-4-piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 7.68 -90.09 3 2 2 21 226.408 5 ↓

Analogs

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Popular Name: N-[(4-methyl-4-piperidyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[(4-methyl-4-piperidyl)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) 2.08 5.4 -36.63 2 2 1 20 251.316 5 ↓
Lo Low (pH 4.5-6) 2.08 6.91 -97.86 3 2 2 21 252.324 5 ↓

Analogs

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Popular Name: (1S)-2,2-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine (1S)-2,2-dimethyl-N-[(4-methyl-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) 1.48 5.72 -94.2 4 2 2 33 198.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine (1R)-2,2-dimethyl-N-[(4-methyl-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) 1.48 5.72 -94.26 4 2 2 33 198.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine (1S,2R)-2-methyl-N-[(4-methyl-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) 1.52 5.22 -93.24 4 2 2 33 184.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine (1S,2S)-2-methyl-N-[(4-methyl-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) 1.52 4.98 -93.88 4 2 2 33 184.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.52 4.98 -93.9 4 2 2 33 184.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[(4-methyl-4-piperidyl)methyl]cyclopropanamine (1R,2S)-2-methyl-N-[(4-methyl-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) 1.52 5.22 -93.21 4 2 2 33 184.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(4-ethyl-4-piperidyl)methyl]cyclopropanamine N-ethyl-N-[(4-ethyl-4-piperidyl)…

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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) 1.87 7.01 -91.05 3 2 2 21 212.381 5 ↓

Parameters Provided:

ring.id = 25280
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 = 25280 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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