| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2010 | 20 | Yes |
Popular Name: [1-ethyl-4-[(3S)-3-propoxy-1-piperidyl]-4-piperidyl]methanamine [1-ethyl-4-[(3S)-3-propoxy-1-pip…
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 1.27 | 4.66 | -107.71 | 4 | 4 | 2 | 45 | 285.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 6.21 | -94.85 | 4 | 4 | 2 | 44 | 285.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 3.89 | -35.54 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 3.97 | -29.75 | 3 | 4 | 1 | 43 | 284.468 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.27 | 6.52 | -219.09 | 5 | 4 | 3 | 46 | 286.484 | 6 | ↓ |
