In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 23 | Yes |
Popular Name: (2S)-1-(ethylamino)-2-[4-(2,3,6-trimethylphenoxy)phenyl]propan-2-ol (2S)-1-(ethylamino)-2-[4-(2,3,6-…
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) | 4.47 | 8.33 | -41.02 | 3 | 3 | 1 | 46 | 314.449 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.47 | 6.83 | -7.55 | 2 | 3 | 0 | 41 | 313.441 | 6 | ↓ |