In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: [(3R)-3-(4-ethoxy-1-piperidyl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3R)-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 | 2.2 | -44.8 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.06 | 3.81 | -32.89 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 5.51 | -101.27 | 4 | 4 | 2 | 44 | 271.449 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 4.11 | -122.53 | 4 | 4 | 2 | 45 | 271.449 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 1.44 | -1.99 | 2 | 4 | 0 | 42 | 269.433 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 3.69 | -29.2 | 3 | 4 | 1 | 43 | 270.441 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.06 | 4.18 | -105.47 | 4 | 4 | 2 | 45 | 271.449 | 5 | ↓ |