| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2010 | 28 | Yes |
Popular Name: (2S)-2-ethyl-1-isopropyl-4-[1-(4-pyrazol-1-ylphenyl)-4-piperidyl]piperazine (2S)-2-ethyl-1-isopropyl-4-[1-(4…
| 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) | 3.61 | 10.67 | -43.16 | 1 | 5 | 1 | 29 | 382.576 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 8.49 | -7.57 | 0 | 5 | 0 | 28 | 381.568 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 10.58 | -37.76 | 1 | 5 | 1 | 29 | 382.576 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 12.79 | -121.73 | 2 | 5 | 2 | 30 | 383.584 | 5 | ↓ |
