| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 20 | Yes |
Popular Name: 4-[4-[(2R)-2-ethylhexyl]-1,4-diazepan-1-yl]butan-1-amine 4-[4-[(2R)-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) | 3.04 | 7.52 | -84.55 | 4 | 3 | 2 | 35 | 285.52 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 5.91 | -40.89 | 3 | 3 | 1 | 34 | 284.512 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 7.99 | -95.73 | 4 | 3 | 2 | 35 | 285.52 | 10 | ↓ |
