In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 29 | 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) | 3.19 | 6.85 | -13.09 | 1 | 7 | 0 | 78 | 413.861 | 5 | ↓ |
Ref Reference (pH 7) | 3.00 | 9.52 | -13.19 | 1 | 7 | 0 | 75 | 413.861 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 7.31 | -36.19 | 2 | 7 | 1 | 79 | 414.869 | 5 | ↓ |