In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 17 | Yes |
Popular Name: 4-[(1S)-1-[2-(2-hydroxyethoxy)ethylamino]ethyl]benzene-1,3-diol 4-[(1S)-1-[2-(2-hydroxyethoxy)et…
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) | 0.75 | -2.62 | -42.39 | 5 | 5 | 1 | 87 | 242.295 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.75 | -1.83 | -46.65 | 4 | 5 | 0 | 89 | 241.287 | 7 | ↓ |