| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 21 | Yes |
Popular Name: (2S)-1-(isopropylamino)-3-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]propan-2-ol (2S)-1-(isopropylamino)-3-[(2S)-…
| 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) | 1.63 | 4.97 | -86.94 | 4 | 4 | 2 | 45 | 293.455 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 6.98 | -198.93 | 5 | 4 | 3 | 46 | 294.463 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 2.59 | -36.6 | 3 | 4 | 1 | 43 | 292.447 | 6 | ↓ |
