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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-N-[(1R)-1-[(3S)-1-ethyl-3-piperidyl]ethyl]-2-methyl-1-(2-thienyl)propan-1-amine (1R)-N-[(1R)-1-[(3S)-1-ethyl-3-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) 4.21 10.03 -96.54 3 2 2 21 296.524 6 ↓
Mid Mid (pH 6-8) 4.21 9.34 -33.16 2 2 1 16 295.516 6 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-[(3R)-1-ethyl-3-piperidyl]ethyl]-2-methyl-1-(2-thienyl)propan-1-amine (1R)-N-[(1R)-1-[(3R)-1-ethyl-3-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) 4.21 10.14 -94.4 3 2 2 21 296.524 6 ↓
Mid Mid (pH 6-8) 4.21 9.46 -33.02 2 2 1 16 295.516 6 ↓

Analogs

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Popular Name: (1S)-2-methyl-N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-1-(2-thienyl)propan-1-amine (1S)-2-methyl-N-[(1S)-1-[(3R)-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) 3.83 9.54 -95.67 3 2 2 21 282.497 5 ↓
Mid Mid (pH 6-8) 3.83 8.87 -35.59 2 2 1 16 281.489 5 ↓

Analogs

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Popular Name: (1R)-2-methyl-N-[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-[(1S)-1-[(3R)-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) 3.83 9.54 -93.8 3 2 2 21 282.497 5 ↓
Mid Mid (pH 6-8) 3.83 8.57 -35.46 2 2 1 16 281.489 5 ↓

Analogs

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Popular Name: (1S)-2-methyl-N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-1-(2-thienyl)propan-1-amine (1S)-2-methyl-N-[(1R)-1-[(3R)-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) 3.83 9.89 -92.25 3 2 2 21 282.497 5 ↓
Mid Mid (pH 6-8) 3.83 9.15 -33.43 2 2 1 16 281.489 5 ↓

Analogs

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Popular Name: (1R)-2-methyl-N-[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-[(1R)-1-[(3R)-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) 3.83 9.54 -96.16 3 2 2 21 282.497 5 ↓
Mid Mid (pH 6-8) 3.83 8.81 -34.05 2 2 1 16 281.489 5 ↓

Analogs

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Popular Name: (1R)-2-methyl-N-[(1R)-1-[(3S)-1-propyl-3-piperidyl]ethyl]-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-[(1R)-1-[(3S)-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) 4.71 10.81 -99.07 3 2 2 21 310.551 7 ↓
Mid Mid (pH 6-8) 4.71 10.38 -33.23 2 2 1 16 309.543 7 ↓

Analogs

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Popular Name: (1R)-2-methyl-N-[(1R)-1-[(3R)-1-propyl-3-piperidyl]ethyl]-1-(2-thienyl)propan-1-amine (1R)-2-methyl-N-[(1R)-1-[(3R)-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) 4.71 10.94 -98.05 3 2 2 21 310.551 7 ↓
Mid Mid (pH 6-8) 4.71 10.54 -32.85 2 2 1 16 309.543 7 ↓

Analogs

32900543
32900543
32900544
32900544

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.16 -33.41 2 4 1 43 311.471 7 ↓
Lo Low (pH 4.5-6) 2.54 9.02 -88.77 3 4 2 47 312.479 7 ↓

Analogs

32900543
32900543
32900544
32900544

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.37 -33.35 2 4 1 43 311.471 7 ↓
Lo Low (pH 4.5-6) 2.54 9.28 -88.62 3 4 2 47 312.479 7 ↓

Analogs

32900543
32900543
32900544
32900544

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.08 -33.83 2 4 1 43 311.471 7 ↓
Lo Low (pH 4.5-6) 2.54 8.99 -89.55 3 4 2 47 312.479 7 ↓

Analogs

32900543
32900543
32900544
32900544

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.16 -33.27 2 4 1 43 311.471 7 ↓
Lo Low (pH 4.5-6) 2.54 9.17 -89.59 3 4 2 47 312.479 7 ↓

Analogs

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Popular Name: (3S)-3-[[(1R)-1-[(3S)-1-ethyl-3-piperidyl]ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1R)-1-[(3S)-1-ethyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 9.75 -72.66 3 4 1 61 311.471 7 ↓
Mid Mid (pH 6-8) 2.60 8.75 -56.05 2 4 0 57 310.463 7 ↓

Analogs

13803111
13803111

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Popular Name: (3S)-3-[[(1R)-1-[(3R)-1-ethyl-3-piperidyl]ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1R)-1-[(3R)-1-ethyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 9.88 -70.57 3 4 1 61 311.471 7 ↓
Mid Mid (pH 6-8) 2.60 8.94 -55.1 2 4 0 57 310.463 7 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-[(3R)-1-methyl-3-piperidyl]ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1S)-1-[(3R)-1-methyl-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 8.84 -70.18 3 4 1 61 297.444 6 ↓
Mid Mid (pH 6-8) 2.23 6.48 -28.94 2 4 0 60 296.436 6 ↓
Mid Mid (pH 6-8) 2.23 7.88 -63.93 2 4 0 57 296.436 6 ↓

Analogs

13803111
13803111

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Popular Name: (3S)-3-[[(1R)-1-[(3R)-1-methyl-3-piperidyl]ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1R)-1-[(3R)-1-methyl-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 9.23 -71.03 3 4 1 61 297.444 6 ↓
Mid Mid (pH 6-8) 2.23 8.29 -56.9 2 4 0 57 296.436 6 ↓
Mid Mid (pH 6-8) 2.23 6.71 -28.9 2 4 0 60 296.436 6 ↓

Analogs

13803111
13803111

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Popular Name: (3S)-3-[[(1S)-1-[(3S)-1-methyl-3-piperidyl]ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1S)-1-[(3S)-1-methyl-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 8.86 -71.66 3 4 1 61 297.444 6 ↓
Mid Mid (pH 6-8) 2.23 7.83 -65.05 2 4 0 57 296.436 6 ↓
Mid Mid (pH 6-8) 2.23 6.45 -28.81 2 4 0 60 296.436 6 ↓

Analogs

13803111
13803111

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Popular Name: (3S)-3-[[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1R)-1-[(3S)-1-methyl-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 9.09 -73.27 3 4 1 61 297.444 6 ↓
Mid Mid (pH 6-8) 2.23 8.1 -58.03 2 4 0 57 296.436 6 ↓
Mid Mid (pH 6-8) 2.23 6.86 -28.11 2 4 0 60 296.436 6 ↓

Analogs

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Popular Name: 1-[(3S)-3-ethyl-3-piperidyl]-N-methyl-N-(2-thienylmethyl)methanamine 1-[(3S)-3-ethyl-3-piperidyl]-N-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) 2.43 7.81 -39.42 2 2 1 20 253.435 5 ↓
Lo Low (pH 4.5-6) 2.43 8.04 -98.47 3 2 2 21 254.443 5 ↓

Analogs

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Popular Name: 1-[(3R)-3-ethyl-3-piperidyl]-N-methyl-N-(2-thienylmethyl)methanamine 1-[(3R)-3-ethyl-3-piperidyl]-N-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) 2.43 6.21 -36.7 2 2 1 20 253.435 5 ↓
Lo Low (pH 4.5-6) 2.43 7.96 -108.78 3 2 2 21 254.443 5 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-3-methyl-3-piperidyl]-N-(2-thienylmethyl)methanamine N-methyl-1-[(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) 2.09 5.69 -39.07 2 2 1 20 239.408 4 ↓
Lo Low (pH 4.5-6) 2.09 7.56 -98.97 3 2 2 21 240.416 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-3-methyl-3-piperidyl]-N-(2-thienylmethyl)methanamine N-methyl-1-[(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) 2.09 5.81 -39.05 2 2 1 20 239.408 4 ↓
Lo Low (pH 4.5-6) 2.09 7.58 -98.74 3 2 2 21 240.416 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-3-propyl-3-piperidyl]-N-(2-thienylmethyl)methanamine N-methyl-1-[(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) 2.99 6.82 -37.11 2 2 1 20 267.462 6 ↓
Lo Low (pH 4.5-6) 2.99 8.68 -105.05 3 2 2 21 268.47 6 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-3-propyl-3-piperidyl]-N-(2-thienylmethyl)methanamine N-methyl-1-[(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) 2.99 7.24 -37.58 2 2 1 20 267.462 6 ↓
Lo Low (pH 4.5-6) 2.99 8.71 -109.03 3 2 2 21 268.47 6 ↓

Analogs

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Popular Name: 1-[(3S)-3-ethyl-3-piperidyl]-N-(2-thienylmethyl)methanamine 1-[(3S)-3-ethyl-3-piperidyl]-N-(…

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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 5.23 -38.51 3 2 1 29 239.408 5 ↓
Lo Low (pH 4.5-6) 2.18 6.32 -101.93 4 2 2 33 240.416 5 ↓

Analogs

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Popular Name: 1-[(3R)-3-ethyl-3-piperidyl]-N-(2-thienylmethyl)methanamine 1-[(3R)-3-ethyl-3-piperidyl]-N-(…

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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 5.22 -38.55 3 2 1 29 239.408 5 ↓
Lo Low (pH 4.5-6) 2.18 6.33 -113.58 4 2 2 33 240.416 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-methyl-3-piperidyl]-N-(2-thienylmethyl)methanamine 1-[(3S)-3-methyl-3-piperidyl]-N-…

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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) 1.85 4.7 -38.31 3 2 1 29 225.381 4 ↓
Lo Low (pH 4.5-6) 1.85 5.86 -102.05 4 2 2 33 226.389 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-methyl-3-piperidyl]-N-(2-thienylmethyl)methanamine 1-[(3R)-3-methyl-3-piperidyl]-N-…

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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) 1.85 4.69 -38.42 3 2 1 29 225.381 4 ↓
Lo Low (pH 4.5-6) 1.85 5.86 -102.12 4 2 2 33 226.389 4 ↓

Analogs

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Popular Name: 1-[(3S)-3-propyl-3-piperidyl]-N-(2-thienylmethyl)methanamine 1-[(3S)-3-propyl-3-piperidyl]-N-…

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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) 2.74 5.99 -39.24 3 2 1 29 253.435 6 ↓
Lo Low (pH 4.5-6) 2.74 7.09 -104.24 4 2 2 33 254.443 6 ↓

Analogs

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Popular Name: 1-[(3R)-3-propyl-3-piperidyl]-N-(2-thienylmethyl)methanamine 1-[(3R)-3-propyl-3-piperidyl]-N-…

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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) 2.74 5.99 -38.9 3 2 1 29 253.435 6 ↓
Lo Low (pH 4.5-6) 2.74 7.09 -115.59 4 2 2 33 254.443 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethyl-3-piperidyl]methyl]-N-(2-thienylmethyl)ethanamine 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) 2.80 6.86 -38.81 2 2 1 20 267.462 6 ↓
Lo Low (pH 4.5-6) 2.80 8.34 -97.39 3 2 2 21 268.47 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethyl-3-piperidyl]methyl]-N-(2-thienylmethyl)ethanamine 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) 2.80 6.8 -41.55 2 2 1 20 267.462 6 ↓
Lo Low (pH 4.5-6) 2.80 8.54 -103.93 3 2 2 21 268.47 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-methyl-3-piperidyl]methyl]-N-(2-thienylmethyl)ethanamine 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) 2.47 6.48 -39.82 2 2 1 20 253.435 5 ↓
Lo Low (pH 4.5-6) 2.47 8.22 -97.95 3 2 2 21 254.443 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-methyl-3-piperidyl]methyl]-N-(2-thienylmethyl)ethanamine 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) 2.47 6.61 -38.97 2 2 1 20 253.435 5 ↓
Lo Low (pH 4.5-6) 2.47 8.25 -97.36 3 2 2 21 254.443 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-propyl-3-piperidyl]methyl]-N-(2-thienylmethyl)ethanamine 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) 3.36 7.59 -39.6 2 2 1 20 281.489 7 ↓
Lo Low (pH 4.5-6) 3.36 9.08 -99.37 3 2 2 21 282.497 7 ↓

Analogs

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Popular Name: N-[[(3R)-3-propyl-3-piperidyl]methyl]-N-(2-thienylmethyl)ethanamine 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) 3.36 7.51 -41.71 2 2 1 20 281.489 7 ↓
Lo Low (pH 4.5-6) 3.36 9.32 -104.24 3 2 2 21 282.497 7 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-1-[(3S)-3-ethyl-3-piperidyl]-N-methyl-methanamine N-[(5-chloro-2-thienyl)methyl]-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) 3.23 8.44 -40.44 2 2 1 20 287.88 5 ↓
Lo Low (pH 4.5-6) 3.23 8.67 -103.48 3 2 2 21 288.888 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-1-[(3R)-3-ethyl-3-piperidyl]-N-methyl-methanamine N-[(5-chloro-2-thienyl)methyl]-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) 3.23 7.1 -38.41 2 2 1 20 287.88 5 ↓
Lo Low (pH 4.5-6) 3.23 8.58 -113.19 3 2 2 21 288.888 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-methyl-1-[(3S)-3-methyl-3-piperidyl]methanamine N-[(5-chloro-2-thienyl)methyl]-N…

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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 6.31 -39.9 2 2 1 20 273.853 4 ↓
Lo Low (pH 4.5-6) 2.89 8.18 -104.12 3 2 2 21 274.861 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-methyl-1-[(3R)-3-methyl-3-piperidyl]methanamine N-[(5-chloro-2-thienyl)methyl]-N…

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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 6.44 -39.98 2 2 1 20 273.853 4 ↓
Lo Low (pH 4.5-6) 2.89 8.21 -103.71 3 2 2 21 274.861 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-methyl-1-[(3S)-3-propyl-3-piperidyl]methanamine N-[(5-chloro-2-thienyl)methyl]-N…

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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) 3.79 7.45 -37.97 2 2 1 20 301.907 6 ↓
Lo Low (pH 4.5-6) 3.79 9.3 -110.26 3 2 2 21 302.915 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N-methyl-1-[(3R)-3-propyl-3-piperidyl]methanamine N-[(5-chloro-2-thienyl)methyl]-N…

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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) 3.79 7.66 -38.21 2 2 1 20 301.907 6 ↓
Lo Low (pH 4.5-6) 3.79 9.35 -116.28 3 2 2 21 302.915 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethyl-3-piperidyl]methyl]-N-(2-thienylmethyl)propan-2-amine 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) 3.10 7.2 -39.51 2 2 1 20 281.489 6 ↓
Lo Low (pH 4.5-6) 3.10 8.86 -95.95 3 2 2 21 282.497 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethyl-3-piperidyl]methyl]-N-(2-thienylmethyl)propan-2-amine 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) 3.10 7.19 -40.92 2 2 1 20 281.489 6 ↓
Lo Low (pH 4.5-6) 3.10 8.75 -101.56 3 2 2 21 282.497 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-methyl-3-piperidyl]methyl]-N-(2-thienylmethyl)propan-2-amine 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) 2.77 7.04 -39.19 2 2 1 20 267.462 5 ↓
Lo Low (pH 4.5-6) 2.77 8.3 -97.75 3 2 2 21 268.47 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-methyl-3-piperidyl]methyl]-N-(2-thienylmethyl)propan-2-amine 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) 2.77 6.68 -39.32 2 2 1 20 267.462 5 ↓
Lo Low (pH 4.5-6) 2.77 7.95 -100.05 3 2 2 21 268.47 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-propyl-3-piperidyl]methyl]-N-(2-thienylmethyl)propan-2-amine 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) 3.66 7.97 -40.26 2 2 1 20 295.516 7 ↓
Lo Low (pH 4.5-6) 3.66 9.61 -98.15 3 2 2 21 296.524 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-propyl-3-piperidyl]methyl]-N-(2-thienylmethyl)propan-2-amine 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) 3.66 7.94 -41.66 2 2 1 20 295.516 7 ↓
Lo Low (pH 4.5-6) 3.66 9.49 -103.42 3 2 2 21 296.524 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(3S)-3-ethyl-3-piperidyl]methyl]-N-methyl-1-(2-thienyl)ethanamine (1S)-N-[[(3S)-3-ethyl-3-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) 2.99 6.57 -36.99 2 2 1 20 267.462 5 ↓
Lo Low (pH 4.5-6) 2.99 8.38 -100.95 3 2 2 21 268.47 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(3R)-3-ethyl-3-piperidyl]methyl]-N-methyl-1-(2-thienyl)ethanamine (1S)-N-[[(3R)-3-ethyl-3-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) 2.99 6.71 -36.82 2 2 1 20 267.462 5 ↓
Lo Low (pH 4.5-6) 2.99 8.58 -103.52 3 2 2 21 268.47 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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