| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 16 | Yes |
Popular Name: (2R,3S)-2-amino-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one (2R,3S)-2-amino-3-methyl-1-(4-me…
| 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) | 0.31 | 4.86 | -106.32 | 4 | 4 | 2 | 52 | 229.368 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 2.06 | -8.27 | 2 | 4 | 0 | 50 | 227.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 4.57 | -44.25 | 3 | 4 | 1 | 51 | 228.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 2.35 | -41.71 | 3 | 4 | 1 | 51 | 228.36 | 3 | ↓ |
