| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: [(3S)-3-(4-ethoxy-1-piperidyl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-(4-ethoxy-1-piperidyl)-1…
| 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) | 0.06 | 1.55 | -42.94 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 3.26 | -34.89 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 5.31 | -100.7 | 4 | 4 | 2 | 44 | 271.449 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 3.27 | -121.75 | 4 | 4 | 2 | 45 | 271.449 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 0.73 | -2 | 2 | 4 | 0 | 42 | 269.433 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 2.82 | -29.39 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.06 | 4.02 | -108.09 | 4 | 4 | 2 | 45 | 271.449 | 5 | ↓ |
