| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 1-[(1S,2R)-2-amino-1-(1-methylpyrazol-4-yl)butyl]-4-ethyl-piperazine-2,3-dione 1-[(1S,2R)-2-amino-1-(1-methylpy…
| 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) | -1.05 | 4.14 | -58.41 | 3 | 7 | 1 | 86 | 294.379 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.05 | 3.83 | -17.75 | 2 | 7 | 0 | 84 | 293.371 | 5 | ↓ |
