| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 21 | Yes |
Popular Name: (2S)-2-amino-1-(4-butylpiperazin-1-yl)-3-phenyl-propan-1-one (2S)-2-amino-1-(4-butylpiperazin…
| 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) | 1.66 | 7.1 | -47.27 | 3 | 4 | 1 | 51 | 290.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 4.9 | -7.8 | 2 | 4 | 0 | 50 | 289.423 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 7.49 | -104.21 | 4 | 4 | 2 | 52 | 291.439 | 6 | ↓ |
