In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 2006 | 30 | Yes |
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) | 5.42 | 13.38 | -13 | 1 | 4 | 0 | 46 | 413.374 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.42 | 13.83 | -33.49 | 2 | 4 | 1 | 48 | 414.382 | 4 | ↓ |