| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol (2S)-1-(4-tert-butylpiperazin-1-…
| 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) | 1.09 | 2.85 | -82.22 | 4 | 4 | 2 | 45 | 259.438 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 0.72 | -38.27 | 3 | 4 | 1 | 43 | 258.43 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.09 | 2.93 | -103.04 | 4 | 4 | 2 | 45 | 259.438 | 7 | ↓ |
