| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 17 | Yes |
Popular Name: (2R,3S)-2-amino-N-[(1S)-2-(diethylamino)-1-methyl-ethyl]-3-methyl-pentanamide (2R,3S)-2-amino-N-[(1S)-2-(dieth…
| 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) | 1.02 | 4.52 | -98.13 | 5 | 4 | 2 | 61 | 245.411 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 2.47 | -48.44 | 4 | 4 | 1 | 67 | 244.403 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 4.22 | -38.07 | 4 | 4 | 1 | 60 | 244.403 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 2.17 | -23.03 | 3 | 4 | 0 | 66 | 243.395 | 8 | ↓ |
