| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 17 | Yes |
Popular Name: 2-[4-[(1S)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(1S)-3-amino-1-ethyl-propy…
| 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) | -0.82 | 0.32 | -98.13 | 6 | 5 | 2 | 78 | 244.383 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.82 | -1.41 | -49.68 | 5 | 5 | 1 | 77 | 243.375 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.82 | -0.06 | -116.18 | 6 | 5 | 2 | 78 | 244.383 | 6 | ↓ |
