In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2005 | 29 | No |
Popular Name: (2,5-dimethoxyphenyl)-ethylsulfanyl-dimethyl-BLAHone (2,5-dimethoxyphenyl)-ethylsulfa…
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) | 3.71 | 11.03 | -19.07 | 1 | 7 | 0 | 78 | 414.531 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.05 | 12.01 | -49.82 | 0 | 7 | -1 | 80 | 413.523 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.89 | 10.45 | -47.83 | 0 | 7 | -1 | 80 | 413.523 | 5 | ↓ |