| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 1-[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]-4-ethyl-piperazine-2,3-dione 1-[(1R,2S)-2-amino-1-(5-chloro-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) | 1.28 | 6.18 | -55.59 | 3 | 5 | 1 | 68 | 330.861 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 5.75 | -16.64 | 2 | 5 | 0 | 67 | 329.853 | 5 | ↓ |
