| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 1-[(1R,2R)-2-amino-1-(3-methyl-2-thienyl)propyl]-4-ethyl-piperazine-2,3-dione 1-[(1R,2R)-2-amino-1-(3-methyl-2…
| 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) | 0.32 | 5.39 | -58.39 | 3 | 5 | 1 | 68 | 296.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | 5.08 | -18.52 | 2 | 5 | 0 | 67 | 295.408 | 4 | ↓ |
