In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 20 | No |
Popular Name: [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-ethoxy-4-hydroxy-phenyl)methanethione [(2R,6S)-2,6-dimethylmorpholin-4…
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) | 2.64 | 5.2 | -12.83 | 1 | 4 | 0 | 42 | 295.404 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 6.15 | -45.92 | 0 | 4 | -1 | 45 | 294.396 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 7.44 | -38.6 | 0 | 4 | -1 | 39 | 294.396 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 7.45 | -38.79 | 0 | 4 | -1 | 39 | 294.396 | 3 | ↓ |