| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 19 | Yes |
Popular Name: 3-[4-[(2S)-2-ethylhexyl]-1,4-diazepan-1-yl]propan-1-amine 3-[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) | 2.77 | 7.1 | -87.88 | 4 | 3 | 2 | 35 | 271.493 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 5.21 | -41.07 | 3 | 3 | 1 | 34 | 270.485 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 8.57 | -109.48 | 4 | 3 | 2 | 35 | 271.493 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 8.95 | -200.7 | 5 | 3 | 3 | 37 | 272.501 | 9 | ↓ |
