| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (3S)-4-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]-3-amino-4-oxo-butanamide (3S)-4-[4-[2-(allylamino)-2-oxo-…
| 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) | -1.10 | -3.98 | -45.63 | 6 | 8 | 1 | 123 | 298.367 | 7 | ↓ |
| Hi High (pH 8-9.5) | -1.10 | -4.32 | -17.8 | 5 | 8 | 0 | 122 | 297.359 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.10 | -1.83 | -105.26 | 7 | 8 | 2 | 125 | 299.375 | 7 | ↓ |
