| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 23 | Yes |
Popular Name: [(3S)-3-ethyl-4-isopropyl-piperazin-1-yl]-[6-(ethyl-methyl-amino)-3-pyridyl]methanone [(3S)-3-ethyl-4-isopropyl-pipera…
| 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) | 1.92 | 8.9 | -41.26 | 1 | 5 | 1 | 41 | 319.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 6.79 | -8.17 | 0 | 5 | 0 | 40 | 318.465 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 9.35 | -82.67 | 2 | 5 | 2 | 42 | 320.481 | 5 | ↓ |
