| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: (2S)-1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-methyl-pentan-1-one (2S)-1-[4-(4-aminobutyl)-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) | 1.36 | 6.88 | -105.27 | 4 | 4 | 2 | 52 | 271.449 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 5.07 | -48.7 | 3 | 4 | 1 | 51 | 270.441 | 7 | ↓ |
