| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | Yes |
Popular Name: (3S)-3-amino-1-(4-isopropylpiperazin-1-yl)-3-phenyl-propan-1-one (3S)-3-amino-1-(4-isopropylpiper…
| 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) | -0.39 | 4.57 | -40.03 | 3 | 4 | 1 | 51 | 276.404 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.39 | 4.25 | -6.37 | 2 | 4 | 0 | 50 | 275.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 6.72 | -93.75 | 4 | 4 | 2 | 52 | 277.412 | 4 | ↓ |
