| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2011 | 20 | Yes |
Popular Name: 4-[[(3S)-4-isopropyl-3-methyl-piperazin-1-yl]methyl]benzoic 4-[[(3S)-4-isopropyl-3-methyl-pi…
| 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) | 2.55 | 7.83 | -68.69 | 1 | 4 | 0 | 48 | 276.38 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 5.73 | -49.07 | 0 | 4 | -1 | 47 | 275.372 | 4 | ↓ |
