In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2008 | 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) | 3.55 | 11.27 | -88.14 | 3 | 5 | 2 | 51 | 413.606 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.55 | 11.54 | -155.27 | 4 | 5 | 3 | 52 | 414.614 | 11 | ↓ |