UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45650232
45650232
45650234
45650234

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Popular Name: N-[[(2S)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]methyl]propan-1-amine N-[[(2S)-1-(3-pyrrolidin-1-ylpro…

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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) 2.25 8.45 -92.39 3 3 2 24 269.477 8 ↓

Analogs

42463214
42463214
42463215
42463215
45650232
45650232
45650234
45650234

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Popular Name: N-[[(2R)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]methyl]propan-1-amine N-[[(2R)-1-(3-pyrrolidin-1-ylpro…

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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) 2.25 8.4 -92.39 3 3 2 24 269.477 8 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]methyl]propan-2-amine N-[[(2S)-1-(3-pyrrolidin-1-ylpro…

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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) 2.40 8.07 -89.82 3 3 2 24 269.477 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]methyl]propan-2-amine N-[[(2R)-1-(3-pyrrolidin-1-ylpro…

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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) 2.40 8.22 -90.91 3 3 2 24 269.477 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]methyl]propan-1-amine 2-methyl-N-[[(2S)-1-(3-pyrrolidi…

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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) 2.50 9.1 -92.38 3 3 2 24 283.504 8 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]methyl]propan-1-amine 2-methyl-N-[[(2R)-1-(3-pyrrolidi…

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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) 2.50 9.06 -92.53 3 3 2 24 283.504 8 ↓

Analogs

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Popular Name: N-[[(3S)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methyl]ethanamine N-[[(3S)-1-(3-pyrrolidin-1-ylpro…

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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 7.07 -78.99 3 3 2 24 255.45 7 ↓
Mid Mid (pH 6-8) 1.63 9.29 -174.4 4 3 3 25 256.458 7 ↓

Analogs

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Popular Name: N-[[(3R)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methyl]ethanamine N-[[(3R)-1-(3-pyrrolidin-1-ylpro…

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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 7.08 -78.93 3 3 2 24 255.45 7 ↓
Mid Mid (pH 6-8) 1.63 9.3 -174.26 4 3 3 25 256.458 7 ↓

Analogs

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Popular Name: N-[[(3S)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methyl]propan-1-amine N-[[(3S)-1-(3-pyrrolidin-1-ylpro…

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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) 2.13 7.82 -80.16 3 3 2 24 269.477 8 ↓
Mid Mid (pH 6-8) 2.13 10.04 -176.59 4 3 3 25 270.485 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methyl]propan-1-amine N-[[(3R)-1-(3-pyrrolidin-1-ylpro…

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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) 2.13 7.83 -80.11 3 3 2 24 269.477 8 ↓
Mid Mid (pH 6-8) 2.13 10.05 -176.43 4 3 3 25 270.485 8 ↓

Analogs

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Popular Name: N-[[(3S)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methyl]propan-2-amine N-[[(3S)-1-(3-pyrrolidin-1-ylpro…

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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 7.6 -78.13 3 3 2 24 269.477 7 ↓
Mid Mid (pH 6-8) 2.28 9.81 -174.3 4 3 3 25 270.485 7 ↓

Analogs

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Popular Name: N-[[(3R)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methyl]propan-2-amine N-[[(3R)-1-(3-pyrrolidin-1-ylpro…

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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 7.6 -77.92 3 3 2 24 269.477 7 ↓
Mid Mid (pH 6-8) 2.28 9.82 -174.48 4 3 3 25 270.485 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(3S)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methyl]ethanamine 2-methoxy-N-[[(3S)-1-(3-pyrrolid…

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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) 1.24 6.2 -79.46 3 4 2 34 285.476 9 ↓
Hi High (pH 8-9.5) 1.24 4.85 -33.25 2 4 1 29 284.468 9 ↓
Mid Mid (pH 6-8) 1.24 7.07 -99.72 3 4 2 30 285.476 9 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(3R)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methyl]ethanamine 2-methoxy-N-[[(3R)-1-(3-pyrrolid…

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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) 1.24 6.21 -78.98 3 4 2 34 285.476 9 ↓
Hi High (pH 8-9.5) 1.24 5 -33.11 2 4 1 29 284.468 9 ↓
Mid Mid (pH 6-8) 1.24 7.21 -99.59 3 4 2 30 285.476 9 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)-4-piperidyl]methyl]propan-2-amine 2-methyl-N-[[1-(3-pyrrolidin-1-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) 2.79 10.25 -170.37 4 3 3 25 284.512 7 ↓
Mid Mid (pH 6-8) 2.79 8.02 -76.39 3 3 2 24 283.504 7 ↓
Mid Mid (pH 6-8) 2.79 7.81 -94.35 3 3 2 24 283.504 7 ↓

Analogs

44518001
44518001
44518435
44518435

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Popular Name: 2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)-4-piperidyl]methyl]propan-1-amine 2-methyl-N-[[1-(3-pyrrolidin-1-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) 2.38 10.76 -173.71 4 3 3 25 284.512 8 ↓
Mid Mid (pH 6-8) 2.38 8.52 -79.75 3 3 2 24 283.504 8 ↓
Mid Mid (pH 6-8) 2.38 8.31 -97.72 3 3 2 24 283.504 8 ↓

Analogs

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Popular Name: 4-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxylic 4-methyl-1-(3-pyrrolidin-1-ylpro…

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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) 1.31 9.41 -114.95 2 4 1 49 255.382 5 ↓
Mid Mid (pH 6-8) 1.31 6.96 -58.31 1 4 0 48 254.374 5 ↓

Analogs

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Popular Name: 4-ethyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxylic 4-ethyl-1-(3-pyrrolidin-1-ylprop…

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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 9.88 -114.31 2 4 1 49 269.409 6 ↓
Mid Mid (pH 6-8) 1.64 7.43 -57.57 1 4 0 48 268.401 6 ↓

Analogs

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Popular Name: 4-propyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxylic 4-propyl-1-(3-pyrrolidin-1-ylpro…

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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) 2.20 10.64 -114.99 2 4 1 49 283.436 7 ↓
Mid Mid (pH 6-8) 2.20 8.19 -57.84 1 4 0 48 282.428 7 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxylic (3S)-3-methyl-1-(3-pyrrolidin-1-…

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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) 1.31 9.59 -105.6 2 4 1 49 255.382 5 ↓
Mid Mid (pH 6-8) 1.31 7.15 -49.06 1 4 0 48 254.374 5 ↓
Mid Mid (pH 6-8) 1.31 7.74 -68.2 1 4 0 48 254.374 5 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxylic (3R)-3-methyl-1-(3-pyrrolidin-1-…

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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) 1.31 9.55 -104.93 2 4 1 49 255.382 5 ↓
Mid Mid (pH 6-8) 1.31 7.11 -48.38 1 4 0 48 254.374 5 ↓
Mid Mid (pH 6-8) 1.31 7.7 -67.79 1 4 0 48 254.374 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(3-pyrrolidin-1-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) 1.64 10.12 -81.3 2 4 1 49 269.409 6 ↓
Hi High (pH 8-9.5) 1.64 8.55 -56.74 1 4 0 48 268.401 6 ↓
Mid Mid (pH 6-8) 1.64 7.67 -35.17 1 4 0 48 268.401 6 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(3-pyrrolidin-1-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) 1.64 10.19 -82.62 2 4 1 49 269.409 6 ↓
Hi High (pH 8-9.5) 1.64 8.55 -58.51 1 4 0 48 268.401 6 ↓
Mid Mid (pH 6-8) 1.64 7.74 -37.12 1 4 0 48 268.401 6 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxylic (3S)-3-propyl-1-(3-pyrrolidin-1-…

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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) 2.20 10.84 -105.51 2 4 1 49 283.436 7 ↓
Hi High (pH 8-9.5) 2.20 8.99 -67.92 1 4 0 48 282.428 7 ↓
Mid Mid (pH 6-8) 2.20 8.38 -48.27 1 4 0 48 282.428 7 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxylic (3R)-3-propyl-1-(3-pyrrolidin-1-…

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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) 2.20 10.78 -104.45 2 4 1 49 283.436 7 ↓
Hi High (pH 8-9.5) 2.20 8.93 -67.35 1 4 0 48 282.428 7 ↓
Mid Mid (pH 6-8) 2.20 8.34 -47.36 1 4 0 48 282.428 7 ↓

Analogs

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Popular Name: (3R,4R)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine (3R,4R)-4-methyl-1-(3-pyrrolidin…

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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) 0.79 6.49 -94.1 4 3 2 35 227.396 4 ↓
Hi High (pH 8-9.5) 0.79 4.85 -86.1 4 3 2 35 227.396 4 ↓
Mid Mid (pH 6-8) 0.79 4.04 -30.51 3 3 1 34 226.388 4 ↓

Analogs

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Popular Name: (3R,4S)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine (3R,4S)-4-methyl-1-(3-pyrrolidin…

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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) 0.79 6.14 -97.99 4 3 2 35 227.396 4 ↓
Hi High (pH 8-9.5) 0.79 4.22 -85.33 4 3 2 35 227.396 4 ↓
Mid Mid (pH 6-8) 0.79 3.91 -32.68 3 3 1 34 226.388 4 ↓

Analogs

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Popular Name: 1-(3-pyrrolidin-1-ylpropyl)piperidine 1-(3-pyrrolidin-1-ylpropyl)piper…

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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) 1.95 8.58 -95.47 2 2 2 9 198.354 4 ↓
Mid Mid (pH 6-8) 1.95 6.13 -31.62 1 2 1 8 197.346 4 ↓
Mid Mid (pH 6-8) 1.95 6.36 -31.87 1 2 1 8 197.346 4 ↓

Analogs

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Popular Name: 4-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidine 4-methyl-1-(3-pyrrolidin-1-ylpro…

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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 9.2 -96.96 2 2 2 9 212.381 4 ↓
Hi High (pH 8-9.5) 2.19 6.95 -31.85 1 2 1 8 211.373 4 ↓
Mid Mid (pH 6-8) 2.19 6.75 -32.4 1 2 1 8 211.373 4 ↓

Analogs

42427840
42427840

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Popular Name: N-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)-4-piperidyl]ethanamine N-methyl-2-[1-(3-pyrrolidin-1-yl…

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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) 2.06 9.07 -162.5 4 3 3 25 256.458 7 ↓
Mid Mid (pH 6-8) 2.06 6.63 -88.81 3 3 2 24 255.45 7 ↓
Mid Mid (pH 6-8) 2.06 6.84 -77.64 3 3 2 24 255.45 7 ↓

Analogs

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Popular Name: N-methyl-2-[(2S)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(3-pyrrolidin…

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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) 2.00 7.31 -92.55 3 3 2 24 255.45 7 ↓
Mid Mid (pH 6-8) 2.00 8.9 -182.91 4 3 3 25 256.458 7 ↓

Analogs

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Popular Name: N-methyl-2-[(2R)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(3-pyrrolidin…

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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) 2.00 6.73 -87.39 3 3 2 24 255.45 7 ↓
Mid Mid (pH 6-8) 2.00 8.86 -183.27 4 3 3 25 256.458 7 ↓

Analogs

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Popular Name: 1-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine 1-(3-pyrrolidin-1-ylpropyl)piper…

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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) 0.31 3.6 -84.28 4 3 2 35 213.369 4 ↓

Analogs

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Popular Name: N-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine N-methyl-1-(3-pyrrolidin-1-ylpro…

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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) 1.22 5.29 -79.96 3 3 2 24 227.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine N-ethyl-1-(3-pyrrolidin-1-ylprop…

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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) 1.60 6.13 -79.31 3 3 2 24 241.423 6 ↓

Analogs

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Popular Name: N-propyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine N-propyl-1-(3-pyrrolidin-1-ylpro…

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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) 2.10 6.9 -80.49 3 3 2 24 255.45 7 ↓

Analogs

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Popular Name: [(3R)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methanamine [(3R)-1-(3-pyrrolidin-1-ylpropyl…

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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) 0.62 4.35 -83.98 4 3 2 35 227.396 5 ↓
Mid Mid (pH 6-8) 0.62 6.58 -176.5 5 3 3 37 228.404 5 ↓

Analogs

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Popular Name: [(3S)-1-(3-pyrrolidin-1-ylpropyl)-3-piperidyl]methanamine [(3S)-1-(3-pyrrolidin-1-ylpropyl…

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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) 0.62 4.34 -84.01 4 3 2 35 227.396 5 ↓
Mid Mid (pH 6-8) 0.62 6.57 -176.61 5 3 3 37 228.404 5 ↓

Analogs

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Popular Name: [1-(3-pyrrolidin-1-ylpropyl)-4-piperidyl]methanamine [1-(3-pyrrolidin-1-ylpropyl)-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) 0.62 6.6 -172.77 5 3 3 37 228.404 5 ↓
Mid Mid (pH 6-8) 0.62 4.14 -98.66 4 3 2 35 227.396 5 ↓
Mid Mid (pH 6-8) 0.62 4.36 -83.28 4 3 2 35 227.396 5 ↓

Analogs

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Popular Name: (3S)-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxylic (3S)-1-(3-pyrrolidin-1-ylpropyl)…

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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) 1.07 9.11 -102.3 2 4 1 49 241.355 5 ↓
Mid Mid (pH 6-8) 1.07 6.64 -47.21 1 4 0 48 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxylic (3R)-1-(3-pyrrolidin-1-ylpropyl)…

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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) 1.07 9.11 -102.93 2 4 1 49 241.355 5 ↓
Mid Mid (pH 6-8) 1.07 6.65 -47.5 1 4 0 48 240.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxylic 1-(3-pyrrolidin-1-ylpropyl)piper…

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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) 1.06 9.16 -111.74 2 4 1 49 241.355 5 ↓
Hi High (pH 8-9.5) 1.06 6.92 -67.75 1 4 0 48 240.347 5 ↓
Mid Mid (pH 6-8) 1.06 6.7 -56.56 1 4 0 48 240.347 5 ↓

Analogs

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Popular Name: 2-[(2S)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]acetic 2-[(2S)-1-(3-pyrrolidin-1-ylprop…

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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) 1.46 9.59 -97.81 2 4 1 49 255.382 6 ↓
Mid Mid (pH 6-8) 1.46 7.13 -44.74 1 4 0 48 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(3-pyrrolidin-1-ylpropyl)-2-piperidyl]acetic 2-[(2R)-1-(3-pyrrolidin-1-ylprop…

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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) 1.46 9.59 -98.13 2 4 1 49 255.382 6 ↓
Mid Mid (pH 6-8) 1.46 7.14 -44.56 1 4 0 48 254.374 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine (3S)-1-(3-pyrrolidin-1-ylpropyl)…

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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) 0.31 5.51 -97.03 4 3 2 35 213.369 4 ↓
Mid Mid (pH 6-8) 0.31 3.28 -32.93 3 3 1 34 212.361 4 ↓
Mid Mid (pH 6-8) 0.31 3.05 -32.18 3 3 1 34 212.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine (3R)-1-(3-pyrrolidin-1-ylpropyl)…

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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) 0.31 5.5 -96.48 4 3 2 35 213.369 4 ↓
Mid Mid (pH 6-8) 0.31 3.04 -31.86 3 3 1 34 212.361 4 ↓
Mid Mid (pH 6-8) 0.31 3.27 -32.39 3 3 1 34 212.361 4 ↓

Parameters Provided:

ring.id = 105339
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 = 105339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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