| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)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) | 0.59 | 2.1 | -80.86 | 4 | 4 | 2 | 45 | 245.411 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | -0.03 | -37.39 | 3 | 4 | 1 | 43 | 244.403 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.59 | 2.16 | -101.31 | 4 | 4 | 2 | 45 | 245.411 | 6 | ↓ |
