In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2010 | 29 | Yes |
Popular Name: [4-[(2S)-2-hydroxy-3-[methyl(3-phenylpropyl)amino]propoxy]-2,3,6-trimethyl-phenyl] [4-[(2S)-2-hydroxy-3-[methyl(3-p…
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) | 4.38 | 12.12 | -49.96 | 2 | 5 | 1 | 60 | 400.539 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.38 | 9.77 | -12.45 | 1 | 5 | 0 | 59 | 399.531 | 11 | ↓ |