| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: (2S)-1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-phenyl-butan-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) | 1.58 | 5.62 | -50.93 | 3 | 4 | 1 | 51 | 290.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 7.44 | -127.24 | 4 | 4 | 2 | 52 | 291.439 | 5 | ↓ |
