UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35766539
35766539
35766541
35766541

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Popular Name: N-methyl-N-[[(3R)-3-piperidyl]methyl]cyclopentanamine N-methyl-N-[[(3R)-3-piperidyl]me…

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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 6.95 -96.59 3 2 2 21 198.354 3 ↓
Hi High (pH 8-9.5) 1.95 5.59 -32.03 2 2 1 16 197.346 3 ↓

Analogs

37997608
37997608
37997609
37997609
16941907
16941907

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Popular Name: N-methyl-N-[[(3S)-3-piperidyl]methyl]cyclopentanamine N-methyl-N-[[(3S)-3-piperidyl]me…

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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 6.93 -101.32 3 2 2 21 198.354 3 ↓
Hi High (pH 8-9.5) 1.95 5.61 -32.43 2 2 1 16 197.346 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(3R)-1-methyl-3-piperidyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(3R)-1-methyl-3-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) 1.95 6.5 -36.13 2 3 1 40 222.356 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(3S)-1-methyl-3-piperidyl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(3S)-1-methyl-3-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) 1.95 6.62 -35.78 2 3 1 40 222.356 3 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethyl-3-piperidyl]methyl]-N-methyl-cyclopentanamine N-[[(3S)-3-ethyl-3-piperidyl]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) 2.53 7.61 -101.46 3 2 2 21 226.408 4 ↓
Mid Mid (pH 6-8) 2.53 5.93 -35.61 2 2 1 20 225.4 4 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethyl-3-piperidyl]methyl]-N-methyl-cyclopentanamine N-[[(3R)-3-ethyl-3-piperidyl]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) 2.53 7.63 -99.9 3 2 2 21 226.408 4 ↓
Mid Mid (pH 6-8) 2.53 6.25 -35.53 2 2 1 20 225.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(3S)-3-methyl-3-piperidyl]methyl]cyclopentanamine N-methyl-N-[[(3S)-3-methyl-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) 2.19 7.35 -93.95 3 2 2 21 212.381 3 ↓
Hi High (pH 8-9.5) 2.19 5.89 -32.49 2 2 1 16 211.373 3 ↓
Mid Mid (pH 6-8) 2.19 5.52 -36.44 2 2 1 20 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(3R)-3-methyl-3-piperidyl]methyl]cyclopentanamine N-methyl-N-[[(3R)-3-methyl-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) 2.19 7.25 -94.15 3 2 2 21 212.381 3 ↓
Hi High (pH 8-9.5) 2.19 6.2 -31.62 2 2 1 16 211.373 3 ↓
Mid Mid (pH 6-8) 2.19 5.33 -35.23 2 2 1 20 211.373 3 ↓

Analogs

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Popular Name: N-methyl-N-[[(3S)-3-propyl-3-piperidyl]methyl]cyclopentanamine N-methyl-N-[[(3S)-3-propyl-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 8.43 -95.89 3 2 2 21 240.435 5 ↓
Mid Mid (pH 6-8) 3.09 6.64 -37.05 2 2 1 20 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(3R)-3-propyl-3-piperidyl]methyl]cyclopentanamine N-methyl-N-[[(3R)-3-propyl-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 8.61 -102.49 3 2 2 21 240.435 5 ↓
Mid Mid (pH 6-8) 3.09 6.69 -35.5 2 2 1 20 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3S)-3-ethyl-3-piperidyl]methyl]cyclopentanamine N-ethyl-N-[[(3S)-3-ethyl-3-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) 2.90 7.09 -93.07 3 2 2 21 240.435 5 ↓
Mid Mid (pH 6-8) 2.90 6.37 -36.45 2 2 1 20 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-3-ethyl-3-piperidyl]methyl]cyclopentanamine N-ethyl-N-[[(3R)-3-ethyl-3-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) 2.90 7.04 -98.98 3 2 2 21 240.435 5 ↓
Mid Mid (pH 6-8) 2.90 6.25 -37.59 2 2 1 20 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-3-methyl-3-piperidyl]methyl]cyclopentanamine N-ethyl-N-[[(3R)-3-methyl-3-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) 2.57 7.65 -93.35 3 2 2 21 226.408 4 ↓
Mid Mid (pH 6-8) 2.57 6.17 -36.54 2 2 1 20 225.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3S)-3-methyl-3-piperidyl]methyl]cyclopentanamine N-ethyl-N-[[(3S)-3-methyl-3-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) 2.57 6.86 -94.89 3 2 2 21 226.408 4 ↓
Mid Mid (pH 6-8) 2.57 6.4 -36.22 2 2 1 20 225.4 4 ↓

Analogs

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Popular Name: N-ethyl-N-[[(3S)-3-propyl-3-piperidyl]methyl]cyclopentanamine N-ethyl-N-[[(3S)-3-propyl-3-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) 3.46 8.97 -95.45 3 2 2 21 254.462 6 ↓
Mid Mid (pH 6-8) 3.46 7.32 -37.57 2 2 1 20 253.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-3-propyl-3-piperidyl]methyl]cyclopentanamine N-ethyl-N-[[(3R)-3-propyl-3-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) 3.46 8.69 -100.02 3 2 2 21 254.462 6 ↓
Mid Mid (pH 6-8) 3.46 7.23 -37.05 2 2 1 20 253.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-ethyl-3-piperidyl]methyl]cyclopentanamine N-[[(3S)-3-ethyl-3-piperidyl]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) 2.28 6.11 -97.85 4 2 2 33 212.381 4 ↓
Hi High (pH 8-9.5) 2.28 4.78 -35.87 3 2 1 29 211.373 4 ↓
Hi High (pH 8-9.5) 2.28 5.16 -36.23 3 2 1 29 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-ethyl-3-piperidyl]methyl]cyclopentanamine N-[[(3R)-3-ethyl-3-piperidyl]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) 2.28 6.06 -105.32 4 2 2 33 212.381 4 ↓
Hi High (pH 8-9.5) 2.28 5.15 -38.06 3 2 1 29 211.373 4 ↓
Hi High (pH 8-9.5) 2.28 4.72 -36.15 3 2 1 29 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-methyl-3-piperidyl]methyl]cyclopentanamine N-[[(3S)-3-methyl-3-piperidyl]me…

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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 5.67 -97.86 4 2 2 33 198.354 3 ↓
Hi High (pH 8-9.5) 1.95 4.65 -36.03 3 2 1 29 197.346 3 ↓
Hi High (pH 8-9.5) 1.95 4.35 -35.88 3 2 1 29 197.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-methyl-3-piperidyl]methyl]cyclopentanamine N-[[(3R)-3-methyl-3-piperidyl]me…

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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 5.67 -97.8 4 2 2 33 198.354 3 ↓
Hi High (pH 8-9.5) 1.95 4.63 -36.15 3 2 1 29 197.346 3 ↓
Hi High (pH 8-9.5) 1.95 4.53 -35.37 3 2 1 29 197.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-propyl-3-piperidyl]methyl]cyclopentanamine N-[[(3S)-3-propyl-3-piperidyl]me…

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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) 2.84 6.88 -99.96 4 2 2 33 226.408 5 ↓
Hi High (pH 8-9.5) 2.84 5.54 -36.62 3 2 1 29 225.4 5 ↓
Hi High (pH 8-9.5) 2.84 5.93 -36.85 3 2 1 29 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-propyl-3-piperidyl]methyl]cyclopentanamine N-[[(3R)-3-propyl-3-piperidyl]me…

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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) 2.84 6.86 -106.52 4 2 2 33 226.408 5 ↓
Hi High (pH 8-9.5) 2.84 5.92 -37.96 3 2 1 29 225.4 5 ↓
Hi High (pH 8-9.5) 2.84 5.53 -36.46 3 2 1 29 225.4 5 ↓

Analogs

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Popular Name: (1R,2S)-N-[[(3S)-3-ethyl-3-piperidyl]methyl]-2-methoxy-cyclopentanamine (1R,2S)-N-[[(3S)-3-ethyl-3-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) 1.75 5.59 -95.11 4 3 2 42 242.407 5 ↓
Mid Mid (pH 6-8) 1.75 4.65 -36.8 3 3 1 38 241.399 5 ↓

Analogs

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Popular Name: (1R,2S)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-2-methoxy-cyclopentanamine (1R,2S)-N-[[(3R)-3-ethyl-3-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) 1.75 5.58 -102.6 4 3 2 42 242.407 5 ↓
Mid Mid (pH 6-8) 1.75 4.67 -36.66 3 3 1 38 241.399 5 ↓

Analogs

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Popular Name: (1S,2S)-N-[[(3S)-3-ethyl-3-piperidyl]methyl]-2-methoxy-cyclopentanamine (1S,2S)-N-[[(3S)-3-ethyl-3-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) 1.75 5.07 -100.2 4 3 2 42 242.407 5 ↓
Mid Mid (pH 6-8) 1.75 4.19 -38.15 3 3 1 38 241.399 5 ↓

Analogs

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Popular Name: (1S,2S)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-2-methoxy-cyclopentanamine (1S,2S)-N-[[(3R)-3-ethyl-3-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) 1.75 5.06 -106.71 4 3 2 42 242.407 5 ↓
Mid Mid (pH 6-8) 1.75 4.2 -41.43 3 3 1 38 241.399 5 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[[(3S)-3-methyl-3-piperidyl]methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[[(3S)-3-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) 1.42 5.16 -95.15 4 3 2 42 228.38 4 ↓
Mid Mid (pH 6-8) 1.42 4.14 -36.65 3 3 1 38 227.372 4 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[[(3R)-3-methyl-3-piperidyl]methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[[(3R)-3-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) 1.42 5.16 -95.13 4 3 2 42 228.38 4 ↓
Mid Mid (pH 6-8) 1.42 4.12 -36.78 3 3 1 38 227.372 4 ↓

Analogs

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Popular Name: (1S,2S)-2-methoxy-N-[[(3S)-3-methyl-3-piperidyl]methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[[(3S)-3-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) 1.42 4.62 -100.18 4 3 2 42 228.38 4 ↓
Mid Mid (pH 6-8) 1.42 3.66 -37.85 3 3 1 38 227.372 4 ↓

Analogs

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Popular Name: (1S,2S)-2-methoxy-N-[[(3R)-3-methyl-3-piperidyl]methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[[(3R)-3-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) 1.42 4.62 -100.32 4 3 2 42 228.38 4 ↓
Mid Mid (pH 6-8) 1.42 3.65 -38.1 3 3 1 38 227.372 4 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[[(3S)-3-propyl-3-piperidyl]methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[[(3S)-3-pro…

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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) 2.31 6.35 -97.23 4 3 2 42 256.434 6 ↓
Mid Mid (pH 6-8) 2.31 5.42 -37.51 3 3 1 38 255.426 6 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[[(3R)-3-propyl-3-piperidyl]methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[[(3R)-3-pro…

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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) 2.31 6.35 -104.27 4 3 2 42 256.434 6 ↓
Mid Mid (pH 6-8) 2.31 5.42 -36.94 3 3 1 38 255.426 6 ↓

Analogs

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Popular Name: (1S,2S)-2-methoxy-N-[[(3S)-3-propyl-3-piperidyl]methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[[(3S)-3-pro…

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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) 2.31 5.84 -102.37 4 3 2 42 256.434 6 ↓
Mid Mid (pH 6-8) 2.31 4.95 -38.82 3 3 1 38 255.426 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methoxy-N-[[(3R)-3-propyl-3-piperidyl]methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[[(3R)-3-pro…

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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) 2.31 5.82 -108.47 4 3 2 42 256.434 6 ↓
Mid Mid (pH 6-8) 2.31 4.97 -41.65 3 3 1 38 255.426 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[(3S)-1-propyl-3-piperidyl]ethyl]cyclopentanamine N-[(1R)-1-[(3S)-1-propyl-3-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) 3.51 8.98 -96.54 3 2 2 21 240.435 5 ↓
Hi High (pH 8-9.5) 3.51 8.01 -31.15 2 2 1 16 239.427 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[(3R)-1-propyl-3-piperidyl]ethyl]cyclopentanamine N-[(1R)-1-[(3R)-1-propyl-3-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) 3.51 9.09 -95.6 3 2 2 21 240.435 5 ↓
Hi High (pH 8-9.5) 3.51 8.2 -31.37 2 2 1 16 239.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3S)-1-ethyl-3-piperidyl]ethyl]cyclopentanamine N-[(1R)-1-[(3S)-1-ethyl-3-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) 3.01 8.17 -94.91 3 2 2 21 226.408 4 ↓
Hi High (pH 8-9.5) 3.01 7.13 -30.69 2 2 1 16 225.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3R)-1-ethyl-3-piperidyl]ethyl]cyclopentanamine N-[(1R)-1-[(3R)-1-ethyl-3-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) 3.01 8.33 -94.13 3 2 2 21 226.408 4 ↓
Hi High (pH 8-9.5) 3.01 7.46 -30.73 2 2 1 16 225.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]cyclopentanamine N-[(1S)-1-[(3R)-1-methyl-3-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) 2.63 7.58 -94.47 3 2 2 21 212.381 3 ↓
Hi High (pH 8-9.5) 2.63 6.56 -32.76 2 2 1 16 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]cyclopentanamine N-[(1R)-1-[(3R)-1-methyl-3-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) 2.63 7.68 -93.84 3 2 2 21 212.381 3 ↓
Hi High (pH 8-9.5) 2.63 6.81 -31.89 2 2 1 16 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]cyclopentanamine N-[(1S)-1-[(3S)-1-methyl-3-piper…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 7.49 -94.34 3 2 2 21 212.381 3 ↓
Hi High (pH 8-9.5) 2.63 6.51 -32.62 2 2 1 16 211.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]cyclopentanamine N-[(1R)-1-[(3S)-1-methyl-3-piper…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 7.59 -94.72 3 2 2 21 212.381 3 ↓
Hi High (pH 8-9.5) 2.63 6.61 -31.69 2 2 1 16 211.373 3 ↓

Parameters Provided:

ring.id = 144731
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 = 144731 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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