In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: (4R)-4-ethyl-1-[2-(3-methylphenoxy)ethyl]-1,5-diazocane (4R)-4-ethyl-1-[2-(3-methylpheno…
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) | 3.50 | 7.66 | -30.45 | 2 | 3 | 1 | 29 | 277.432 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 9.22 | -105.5 | 3 | 3 | 2 | 30 | 278.44 | 5 | ↓ |