| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 15 | Yes |
Popular Name: (2S)-1-amino-3-(4-tert-butylpiperazin-1-yl)propan-2-ol (2S)-1-amino-3-(4-tert-butylpipe…
| 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) | -0.42 | -0.76 | -85.42 | 5 | 4 | 2 | 56 | 217.357 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.42 | -2.88 | -42.91 | 4 | 4 | 1 | 54 | 216.349 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.42 | -3.34 | -3.28 | 3 | 4 | 0 | 53 | 215.341 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.42 | -0.59 | -104.51 | 5 | 4 | 2 | 56 | 217.357 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.42 | 1.61 | -191.95 | 6 | 4 | 3 | 57 | 218.365 | 4 | ↓ |
