| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 21 | Yes |
Popular Name: 5-[4-[(2S)-2-ethylhexyl]-1,4-diazepan-1-yl]pentan-1-amine 5-[4-[(2S)-2-ethylhexyl]-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) | 3.55 | 8.66 | -82.58 | 4 | 3 | 2 | 35 | 299.547 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 6.76 | -40.33 | 3 | 3 | 1 | 34 | 298.539 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 8.68 | -90.24 | 4 | 3 | 2 | 35 | 299.547 | 11 | ↓ |
