| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (4S,6S)-4-ethyl-6-methyl-1-[2-(3-methylphenoxy)ethyl]-1,5-diazocane (4S,6S)-4-ethyl-6-methyl-1-[2-(3…
| 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) | 3.83 | 8.19 | -32.45 | 2 | 3 | 1 | 29 | 291.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.83 | 8.46 | -34.81 | 2 | 3 | 1 | 26 | 291.459 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 9.58 | -103.89 | 3 | 3 | 2 | 30 | 292.467 | 5 | ↓ |
