| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 21 | Yes |
Popular Name: (3S)-3-amino-4-(4-benzylpiperazin-1-yl)-4-oxo-butanamide (3S)-3-amino-4-(4-benzylpiperazi…
| 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) | 0.04 | -0.24 | -40.42 | 5 | 6 | 1 | 94 | 291.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.04 | -0.58 | -11.81 | 4 | 6 | 0 | 93 | 290.367 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 1.97 | -103.94 | 6 | 6 | 2 | 95 | 292.383 | 5 | ↓ |
