| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 20 | Yes |
Popular Name: (2S)-3-[4-[(2S)-2-ethylhexyl]-1,4-diazepan-1-yl]-2-methyl-propan-1-amine (2S)-3-[4-[(2S)-2-ethylhexyl]-1,…
| 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) | 3.25 | 7.76 | -87.43 | 4 | 3 | 2 | 35 | 285.52 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 9.19 | -111.39 | 4 | 3 | 2 | 35 | 285.52 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 6.06 | -41.55 | 3 | 3 | 1 | 34 | 284.512 | 9 | ↓ |
