| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 17 | Yes |
Popular Name: (2R)-1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-methyl-pentan-1-one (2R)-1-[4-(2-aminoethyl)-1,4-dia…
| 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) | 0.81 | 3.57 | -49.41 | 3 | 4 | 1 | 51 | 242.387 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.37 | -123.46 | 4 | 4 | 2 | 52 | 243.395 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 4.98 | -38.72 | 3 | 4 | 1 | 51 | 242.387 | 5 | ↓ |
