| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 18 | Yes |
Popular Name: (3R)-3-amino-1-(1,4-diazepan-1-yl)-3-phenyl-propan-1-one (3R)-3-amino-1-(1,4-diazepan-1-y…
| 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) | -1.38 | 4.65 | -100.83 | 5 | 4 | 2 | 65 | 249.358 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.38 | 4.3 | -44.21 | 4 | 4 | 1 | 63 | 248.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.38 | 3.27 | -39.55 | 4 | 4 | 1 | 60 | 248.35 | 3 | ↓ |
