| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2008 | 28 | Yes |
Popular Name: (3S)-4-isopentyl-3-[2-oxo-2-[4-(3-pyridylmethyl)piperazin-1-yl]ethyl]piperazin-2-one (3S)-4-isopentyl-3-[2-oxo-2-[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) | 1.85 | -1.51 | -104.53 | 3 | 7 | 2 | 71 | 389.544 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | -1.39 | -183.83 | 4 | 7 | 3 | 72 | 390.552 | 7 | ↓ |
