| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 16 | Yes |
Popular Name: (2R)-1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-methyl-butan-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) | 0.26 | 2.8 | -49.37 | 3 | 4 | 1 | 51 | 228.36 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 4.61 | -123.28 | 4 | 4 | 2 | 52 | 229.368 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 4.22 | -38.99 | 3 | 4 | 1 | 51 | 228.36 | 4 | ↓ |
