| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: (2S)-1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethyl-hexan-1-one (2S)-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) | 1.82 | 5.01 | -48.56 | 3 | 4 | 1 | 51 | 270.441 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.81 | -123.81 | 4 | 4 | 2 | 52 | 271.449 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.42 | -38.86 | 3 | 4 | 1 | 51 | 270.441 | 7 | ↓ |
