| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (2S)-1-(4-tert-butylpiperazin-1-yl)-3-(methylamino)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) | 0.56 | 1.11 | -81.29 | 4 | 4 | 2 | 45 | 231.384 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | -1 | -38.15 | 3 | 4 | 1 | 43 | 230.376 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.56 | -2.5 | -2.95 | 2 | 4 | 0 | 39 | 229.368 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.56 | 1.28 | -100.52 | 4 | 4 | 2 | 45 | 231.384 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.56 | 3.48 | -189.04 | 5 | 4 | 3 | 46 | 232.392 | 5 | ↓ |
