| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2011 | 24 | Yes |
Popular Name: 3-isopropyl-5-[(1S)-1-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(1S)-1-[4-[2-(4-p…
| 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) | 1.84 | 5.44 | -50.19 | 1 | 6 | 1 | 59 | 330.456 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 3.17 | -9.13 | 0 | 6 | 0 | 58 | 329.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 5.52 | -42.5 | 1 | 6 | 1 | 59 | 330.456 | 6 | ↓ |
